2-[5-[(Z)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzonitrile

Formula:C14H9N5O Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[5-[(Z)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzonitrile is a drug-like molecule.

MolName	2-[5-[(Z)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzonitrile
MolecularFormula	C14H9N5O
Smiles	N#Cc(cccc1)c1-c1ccc(/C=N\n2cnnc2)o1
InChI	InChI=1S/C14H9N5O/c15-7-11-3-1-2-4-13(11)14-6-5-12(20-14)8-18-19-9-16-17-10-19/h1-6,8-10H
InChIK	YIRPQYWPZCSFOJ-UHFFFAOYSA-N
TotalMolweight	263.259
Molweight	263.259
MonoisotopicMass	263.08071
CLogP	2.0028
CLogS	-6.543
H Acceptors	6
TotalSurfaceArea	215.66
Relative PSA	0.31526
PolarSurfaceArea	80
Druglikeness	1.777
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

Click to Load Molecule:

1 - 2-[5-[(Z)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzonitrile | 2 - 2-[5-[(Z)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzonitrile

Request More Details | 2-[5-[(Z)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzonitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments