Name: Name:3-(5-methyl-4H-1,2,4-triazol-3-yl)benzonitrile
Brand: Angene
SKU: AG01EJS3
Rating: 90 (10 reviews)

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

CAS No.:

312772-65-9

Catalog Number:

AG01EJS3

Molecular Formula:

C10H8N4

Molecular Weight:

184.1973

Catalog Number:

AG01EJS3

Chemical Name:

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

CAS Number:

312772-65-9

Molecular Formula:

C10H8N4

Molecular Weight:

184.1973

MDL Number:

MFCD26526975

IUPAC Name:

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

InChI:

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

InChI Key:

UVWHAYCHLAHEOI-UHFFFAOYSA-N

SMILES:

N#Cc1cccc(c1)c1nnc([nH]1)C

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:

65.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8