Name: Name:2-(dimethyl-4H-1,2,4-triazol-3-yl)acetonitrile
Brand: Angene
SKU: AG01AV2B
Rating: 90 (10 reviews)

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

CAS No.:

1598277-86-1

Catalog Number:

AG01AV2B

Molecular Formula:

C6H8N4

Molecular Weight:

136.1545

Catalog Number:

AG01AV2B

Chemical Name:

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

CAS Number:

1598277-86-1

Molecular Formula:

C6H8N4

Molecular Weight:

136.1545

MDL Number:

MFCD27959437

IUPAC Name:

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

InChI:

InChI=1S/C6H8N4/c1-5-8-9-6(3-4-7)10(5)2/h3H2,1-2H3

InChI Key:

HQLBTJHQZRFFPP-UHFFFAOYSA-N

SMILES:

Cn1c(CC#N)nnc1C

Complexity:

158

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

136.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

136.158g/mol

Monoisotopic Mass:

136.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5