N-[(Z)-pyridin-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide

Formula:C10H10N6O Mutagenic:low Tumorigenic:none Reproductive Effective:low N-[(Z)-pyridin-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is a drug-like molecule.

MolNameN-[(Z)-pyridin-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
MolecularFormulaC10H10N6O
SmilesO=C(Cn1ncnc1)N/N=C\c1ncccc1
InChIInChI=1S/C10H10N6O/c17-10(6-16-8-11-7-14-16)15-13-5-9-3-1-2-4-12-9/h1-5,7-8H,6H2,(H,15,17)
InChIKMUKQHFDFAHZTOV-UHFFFAOYSA-N
TotalMolweight230.23
Molweight230.23
MonoisotopicMass230.091609
CLogP-0.3121
CLogS-1.561
H Acceptors7
H Donors1
TotalSurfaceArea186.23
Relative PSA0.40697
PolarSurfaceArea85.06
Druglikeness6.4859
Mutageniclow
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.70588
Fragments1
Non HAtoms17
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond4
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms1
Aromatic Nitrogens4
StereoCon

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