Name: Name:3-(propan-2-yl)-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
Brand: Angene
SKU: AG01BGJA
Rating: 90 (10 reviews)

3-(propan-2-yl)-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole

CAS No.:

1249765-50-1

Catalog Number:

AG01BGJA

Molecular Formula:

C7H10F3N3

Molecular Weight:

193.1696

Catalog Number:

AG01BGJA

Chemical Name:

3-(propan-2-yl)-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole

CAS Number:

1249765-50-1

Molecular Formula:

C7H10F3N3

Molecular Weight:

193.1696

MDL Number:

MFCD14627966

IUPAC Name:

3-propan-2-yl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole

InChI:

InChI=1S/C7H10F3N3/c1-4(2)6-11-5(12-13-6)3-7(8,9)10/h4H,3H2,1-2H3,(H,11,12,13)

InChI Key:

DHFTXTWMVFUNGP-UHFFFAOYSA-N

SMILES:

CC(c1nc([nH]n1)CC(F)(F)F)C

Complexity:

169

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

193.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

193.173g/mol

Monoisotopic Mass:

193.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6