Name: Name:5-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-amine
Brand: Angene
SKU: AG019U4P
Rating: 90 (10 reviews)

5-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-amine

CAS No.:

502685-68-9

Catalog Number:

AG019U4P

Molecular Formula:

C9H9FN4

Molecular Weight:

192.1930

Catalog Number:

AG019U4P

Chemical Name:

5-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-amine

CAS Number:

502685-68-9

Molecular Formula:

C9H9FN4

Molecular Weight:

192.1930

MDL Number:

MFCD05182372

IUPAC Name:

5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-amine

InChI:

InChI=1S/C9H9FN4/c10-7-3-1-6(2-4-7)5-8-12-9(11)14-13-8/h1-4H,5H2,(H3,11,12,13,14)

InChI Key:

WKTGLFHOWNWTRI-UHFFFAOYSA-N

SMILES:

Fc1ccc(cc1)Cc1nnc([nH]1)N

Complexity:

182

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

192.081g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

192.197g/mol

Monoisotopic Mass:

192.081g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7