Name: Name:2-(1-methyl-3-phenyl-1H-1,2,4-triazol-5-yl)acetonitrile
Brand: Angene
SKU: AG01A3FN
Rating: 90 (10 reviews)

2-(1-methyl-3-phenyl-1H-1,2,4-triazol-5-yl)acetonitrile

CAS No.:

87924-04-7

Catalog Number:

AG01A3FN

Molecular Formula:

C11H10N4

Molecular Weight:

198.2239

Catalog Number:

AG01A3FN

Chemical Name:

2-(1-methyl-3-phenyl-1H-1,2,4-triazol-5-yl)acetonitrile

CAS Number:

87924-04-7

Molecular Formula:

C11H10N4

Molecular Weight:

198.2239

MDL Number:

MFCD22741266

IUPAC Name:

2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)acetonitrile

InChI:

InChI=1S/C11H10N4/c1-15-10(7-8-12)13-11(14-15)9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChI Key:

AGRHTSRTEOISJU-UHFFFAOYSA-N

SMILES:

N#CCc1nc(nn1C)c1ccccc1

Complexity:

251

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.091g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.229g/mol

Monoisotopic Mass:

198.091g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4