Name: Name:3-methyl-4-(1H-1,2,4-triazol-1-yl)benzonitrile
Brand: Angene
SKU: AG019S47
Rating: 90 (10 reviews)

3-methyl-4-(1H-1,2,4-triazol-1-yl)benzonitrile

CAS No.:

1184024-43-8

Catalog Number:

AG019S47

Molecular Formula:

C10H8N4

Molecular Weight:

184.1973

Catalog Number:

AG019S47

Chemical Name:

3-methyl-4-(1H-1,2,4-triazol-1-yl)benzonitrile

CAS Number:

1184024-43-8

Molecular Formula:

C10H8N4

Molecular Weight:

184.1973

MDL Number:

MFCD12805125

IUPAC Name:

3-methyl-4-(1,2,4-triazol-1-yl)benzonitrile

InChI:

InChI=1S/C10H8N4/c1-8-4-9(5-11)2-3-10(8)14-7-12-6-13-14/h2-4,6-7H,1H3

InChI Key:

ZJTMFAYANAWUPH-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(c(c1)C)n1cncn1

Complexity:

244

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

184.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

184.202g/mol

Monoisotopic Mass:

184.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7