N-[(Z)-pyridin-4-ylmethylideneamino]-1H-1,2,4-triazole-5-carboxamide

Formula:C9H8N6O Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-pyridin-4-ylmethylideneamino]-1H-1,2,4-triazole-5-carboxamide is a drug-like molecule.

MolName	N-[(Z)-pyridin-4-ylmethylideneamino]-1H-1,2,4-triazole-5-carboxamide
MolecularFormula	C9H8N6O
Smiles	O=C(c1ncn[nH]1)N/N=C\c1ccncc1
InChI	InChI=1S/C9H8N6O/c16-9(8-11-6-13-14-8)15-12-5-7-1-3-10-4-2-7/h1-6H,(H,15,16)(H,11,13,14)
InChIK	UZHMMTOBGVNUSA-UHFFFAOYSA-N
TotalMolweight	216.204
Molweight	216.204
MonoisotopicMass	216.075959
CLogP	-0.1399
CLogS	-1.16
H Acceptors	7
H Donors	2
TotalSurfaceArea	172.84
Relative PSA	0.47969
PolarSurfaceArea	95.92
Druglikeness	6.0023
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6875
Fragments	1
Non HAtoms	16
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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