2,4-Dihydrazinyl-5-methylpyrimidine--hydrogen chloride (1/1)

CAS Number: 73941-14-7
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Cc1c(NN)nc(NN)nc1.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HCl.C5H10N6
Molecular Weight
154.176
Drug-likeness
-4.51
CAS
73941-14-7
InChI key
CKBWUSFCINTUBH-UHFFFAOYSA-N
SMILES
Cc1c(NN)nc(NN)nc1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 73941-14-7
Molecule Name 2,4-Dihydrazinyl-5-methylpyrimidine--hydrogen chloride (1/1)
Molecular Formula HCl.C5H10N6
SMILES Cc1c(NN)nc(NN)nc1.Cl
InChI InChI=1S/C5H10N6.ClH/c1-3-2-8-5(11-7)9-4(3)10-6;/h2H,6-7H2,1H3,(H2,8,9,10,11);1H
InChI Key CKBWUSFCINTUBH-UHFFFAOYSA-N
CanonicalSyTyLFy d3c26356e6fd1c91
TotalMolweight 190.637
Molecular Weight 154.176
MonoisotopicMass 154.096694
CLogP 1.0862
CLogS -1.34
H Acceptors 6
H Donors 4
TotalSurfaceArea 123
Relative PSA 0.61301
PolarSurfaceArea 101.88
Drug-likeness -4.51
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.63636
Molecula Flexibility 0.28253
Molecular Complexity 0.70527
Fragments 2
Non HAtoms 11
NonCHAtoms 6
Electronegative Atoms 6
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 3
Aromatic Nitrogens 2
BasicNitrogens 2

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