Name: Name:5-[3-amino-5-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1,2,4-triazol-3-one
Brand: Angene
SKU: AG01A9Z9
Rating: 90 (10 reviews)

5-[3-amino-5-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1,2,4-triazol-3-one

CAS No.:

1244030-97-4

Catalog Number:

AG01A9Z9

Molecular Formula:

C9H7F3N4O

Molecular Weight:

244.1733

Catalog Number:

AG01A9Z9

Chemical Name:

5-[3-amino-5-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1,2,4-triazol-3-one

CAS Number:

1244030-97-4

Molecular Formula:

C9H7F3N4O

Molecular Weight:

244.1733

MDL Number:

MFCD26143875

IUPAC Name:

3-[3-amino-5-(trifluoromethyl)phenyl]-1,4-dihydro-1,2,4-triazol-5-one

InChI:

InChI=1S/C9H7F3N4O/c10-9(11,12)5-1-4(2-6(13)3-5)7-14-8(17)16-15-7/h1-3H,13H2,(H2,14,15,16,17)

InChI Key:

KHJLSDSIZMEPMS-UHFFFAOYSA-N

SMILES:

Nc1cc(cc(c1)C(F)(F)F)c1[nH][nH]c(=O)n1

Complexity:

355

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

244.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

244.177g/mol

Monoisotopic Mass:

244.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1