Name: Name:1H-1,2,4-Triazole-3-acetonitrile,5-(1-methylethyl)-(9CI)
Brand: Angene
SKU: AG00B355
Rating: 90 (10 reviews)

1H-1,2,4-Triazole-3-acetonitrile,5-(1-methylethyl)-(9CI)

CAS No.:

168260-22-8

Catalog Number:

AG00B355

Molecular Formula:

C7H10N4

Molecular Weight:

150.1811

Catalog Number:

AG00B355

Chemical Name:

1H-1,2,4-Triazole-3-acetonitrile,5-(1-methylethyl)-(9CI)

CAS Number:

168260-22-8

Molecular Formula:

C7H10N4

Molecular Weight:

150.1811

MDL Number:

MFCD18089383

IUPAC Name:

2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)acetonitrile

InChI:

InChI=1S/C7H10N4/c1-5(2)7-9-6(3-4-8)10-11-7/h5H,3H2,1-2H3,(H,9,10,11)

InChI Key:

NBPXZCJXBQYQCO-UHFFFAOYSA-N

SMILES:

CC(c1nnc([nH]1)CC#N)C

Complexity:

169

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

150.091g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

150.185g/mol

Monoisotopic Mass:

150.091g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8