Name: Name:3-(5-AMINO-3-METHYL-1H-1,2,4-TRIAZOL-1-YL)PROPANENITRILE
Brand: Angene
SKU: AG01EJPD
Rating: 90 (10 reviews)

3-(5-AMINO-3-METHYL-1H-1,2,4-TRIAZOL-1-YL)PROPANENITRILE

CAS No.:

1072106-44-5

Catalog Number:

AG01EJPD

Molecular Formula:

C6H9N5

Molecular Weight:

151.1692

Catalog Number:

AG01EJPD

Chemical Name:

3-(5-AMINO-3-METHYL-1H-1,2,4-TRIAZOL-1-YL)PROPANENITRILE

CAS Number:

1072106-44-5

Molecular Formula:

C6H9N5

Molecular Weight:

151.1692

MDL Number:

MFCD16845192

IUPAC Name:

3-(5-amino-3-methyl-1,2,4-triazol-1-yl)propanenitrile

InChI:

InChI=1S/C6H9N5/c1-5-9-6(8)11(10-5)4-2-3-7/h2,4H2,1H3,(H2,8,9,10)

InChI Key:

XLSLZBMTXAFEOF-UHFFFAOYSA-N

SMILES:

Cc1nn(c(n1)N)CCC#N

Complexity:

171

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

151.086g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

151.173g/mol

Monoisotopic Mass:

151.086g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.3