Name: Name:3-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)propanenitrile
Brand: Angene
SKU: AG01EJTD
Rating: 90 (10 reviews)

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

CAS No.:

1072106-46-7

Catalog Number:

AG01EJTD

Molecular Formula:

C11H11N5

Molecular Weight:

213.2385

Catalog Number:

AG01EJTD

Chemical Name:

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

CAS Number:

1072106-46-7

Molecular Formula:

C11H11N5

Molecular Weight:

213.2385

MDL Number:

MFCD24641918

IUPAC Name:

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

InChI:

InChI=1S/C11H11N5/c12-7-4-8-16-11(13)14-10(15-16)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2,(H2,13,14,15)

InChI Key:

YPHMDHUEMFBXBQ-UHFFFAOYSA-N

SMILES:

N#CCCn1nc(nc1N)c1ccccc1

Complexity:

265

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

213.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

213.244g/mol

Monoisotopic Mass:

213.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9