5-Hydroxypyrazinamide

Formula:C5H5N3O2 CAS:13924-96-4 ChemrytIQ

PropertyValue
Casrn13924-96-4
MolName5-Hydroxypyrazinamide
MolecularFormulaC5H5N3O2
SmilesNC(C(N=C1)=CNC1=O)=O
InChIInChI=1S/C5H5N3O2/c6-5(10)3-1-8-4(9)2-7-3/h1-2H,(H2,6,10)(H,8,9)
InChIKXENWQEOTDAQROM-UHFFFAOYSA-N
CanonicalSyTyLFy92f9db5f9f2f3d45
TotalMolweight139.114
Molweight139.114
MonoisotopicMass139.038177
CLogP-2.2778
CLogS-0.844
H Acceptors5
H Donors2
TotalSurfaceArea104.95
Relative PSA0.61286
PolarSurfaceArea84.55
Druglikeness2.7565
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.7
Molecula Flexibility0.42478
Molecular Complexity0.67346
Fragments1
Non HAtoms10
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond1
Rings Closures1
Small Rings1
Amides2
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
100008-89-7nonenonenoneC11H10N4O3246.225-1.8465 ChemrytIQ
100004-80-6nonenonenoneC13H11NO3229.234-1.3547 ChemrytIQ
1000339-32-1nonenonenoneC11H14NF179.2370.6275 ChemrytIQ
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213 ChemrytIQ
100022-13-7nonenonenoneHCl.C20H21NO4339.392.3133 ChemrytIQ
100-51-6highhighhighC7H8O108.14-2.2456 ChemrytIQ
100027-33-6nonenonenoneI.C21H27N2O323.4583.6949 ChemrytIQ
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075 ChemrytIQ
100-45-8nonenonehighC7H9N107.155-10.018 ChemrytIQ
100-07-2highhighlowC8H7O2Cl170.595-10.49 ChemrytIQ
1000-91-5nonenonehighC5H14OSi118.251-35.679 ChemrytIQ
100-46-9nonenonenoneC7H9N107.155-2.0712 ChemrytIQ
10001-82-8nonenonenoneC24H26N4O5S482.5599.4242 ChemrytIQ
1000-46-0nonenonenoneC7H18Ge174.83-4.6976 ChemrytIQ
100-50-5nonenonehighC7H10O110.155-9.6048 ChemrytIQ
1000025-93-3nonenonenoneC20H17NO4335.358-1.6731 ChemrytIQ
1000339-45-6nonenonehighC8H14O2F2180.193-28.199 ChemrytIQ
1000339-13-8lownonelowC7H10NO4ClS239.678-21.883 ChemrytIQ
100004-92-0nonenonenoneC16H11NO2249.268-1.5746 ChemrytIQ
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371 ChemrytIQ
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574 ChemrytIQ
100019-64-5nonenonenoneC9H10N2O7FP308.157-34.083 ChemrytIQ
1000-84-6nonenonehighC4H9NO87.1215-6.3779 ChemrytIQ
100012-67-7highhighhighC12H12O5236.222-19.846 ChemrytIQ
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989 ChemrytIQ
100-79-8nonelownoneC6H12O3132.158-9.8672 ChemrytIQ
100013-07-8nonenonenoneC18H32B.Li259.263-11.013 ChemrytIQ
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943 ChemrytIQ
100-49-2nonenonenoneC7H14O114.187-9.3679 ChemrytIQ
100-92-5nonenonenoneC11H17N163.2631.1672 ChemrytIQ
100-85-6nonenonenoneHO.C10H16N150.244-2.6575 ChemrytIQ
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137 ChemrytIQ
1000-28-8nonenonenoneC6H3OF11300.067-44.343 ChemrytIQ
100-17-4nonenonenoneC7H7NO3153.137-7.2945 ChemrytIQ
100-47-0highnonehighC7H5N103.124-6.0498 ChemrytIQ
100020-94-8highnonelowC12H17OCl212.719-11.962 ChemrytIQ
100023-32-3highhighnoneCH3O4S.C20H19N2O303.3840.7545 ChemrytIQ
100031-76-3nonenonenoneC30H44NO8P577.652-46.719 ChemrytIQ
100004-79-3nonenonenoneC13H11NO2213.235-1.5864 ChemrytIQ
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825 ChemrytIQ
10003-73-3nonenonenoneHCl.C7H10N2122.17-2.0712 ChemrytIQ
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647 ChemrytIQ
100016-58-8nonehighnoneC19H19NO5341.3621.8385 ChemrytIQ
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529 ChemrytIQ
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856 ChemrytIQ
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136 ChemrytIQ
100-16-3lowhighnoneC6H7N3O2153.141-9.8627 ChemrytIQ
10002-37-6nonenonenoneC9H16N2O168.239-3.8085 ChemrytIQ
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077 ChemrytIQ
100-02-7nonenonenoneC6H5NO3139.11-7.5665 ChemrytIQ
100-66-3highnonehighC7H8O108.14-2.0846 ChemrytIQ
1000018-39-2highhighlowC13H20N2O2S268.381.9315 ChemrytIQ
100-18-5nonenonenoneC12H18162.275-2.5088 ChemrytIQ
1000-22-2lowhighlowC6H14O2FPS200.213-11.052 ChemrytIQ
1000-77-7highhighnoneHCl.C6H15NO6S2261.3181.5333 ChemrytIQ
100-53-8nonehighhighC7H8S124.207-6.3177 ChemrytIQ
100-70-9nonenonenoneC6H4N2104.112-6.0498 ChemrytIQ
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885 ChemrytIQ
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592 ChemrytIQ
100-96-9highnonenoneC7H10N2O138.169-1.7412 ChemrytIQ