Name: Name:1H-1,2,4-Triazol-5-amine, 3-[4-(trifluoromethyl)phenyl]-
Brand: Angene
SKU: AG00265M
Rating: 90 (10 reviews)

1H-1,2,4-Triazol-5-amine, 3-[4-(trifluoromethyl)phenyl]-

CAS No.:

178556-79-1

Catalog Number:

AG00265M

Molecular Formula:

C9H7F3N4

Molecular Weight:

228.1739

Catalog Number:

AG00265M

Chemical Name:

1H-1,2,4-Triazol-5-amine, 3-[4-(trifluoromethyl)phenyl]-

CAS Number:

178556-79-1

Molecular Formula:

C9H7F3N4

Molecular Weight:

228.1739

MDL Number:

MFCD09945170

IUPAC Name:

5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine

InChI:

InChI=1S/C9H7F3N4/c10-9(11,12)6-3-1-5(2-4-6)7-14-8(13)16-15-7/h1-4H,(H3,13,14,15,16)

InChI Key:

OPCMOBZOGLGRKI-UHFFFAOYSA-N

SMILES:

Nc1[nH]nc(n1)c1ccc(cc1)C(F)(F)F

Complexity:

237

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.178g/mol

Monoisotopic Mass:

228.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2