(E)-3-pyridin-4-yl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile

Formula:C13H10N8 Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-pyridin-4-yl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-pyridin-4-yl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile
MolecularFormula	C13H10N8
Smiles	N#C/C(/c1n[nH]c(Cn2ncnc2)n1)=C\c1ccncc1
InChI	InChI=1S/C13H10N8/c14-6-11(5-10-1-3-15-4-2-10)13-18-12(19-20-13)7-21-9-16-8-17-21/h1-5,8-9H,7H2,(H,18,19,20)
InChIK	FOWSJPLYCGSSDF-UHFFFAOYSA-N
TotalMolweight	278.278
Molweight	278.278
MonoisotopicMass	278.102842
CLogP	-0.8233
CLogS	-0.286
H Acceptors	8
H Donors	1
TotalSurfaceArea	225.53
Relative PSA	0.39582
PolarSurfaceArea	108.96
Druglikeness	-0.24426
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	7
StereoCon

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1 - (E)-3-pyridin-4-yl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile | 2 - (E)-3-pyridin-4-yl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile

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