Name: Name:3-(4H-1,2,4-triazole-3-carbonyl)pyridine
Brand: Angene
SKU: AG01AC1D
Rating: 90 (10 reviews)

3-(4H-1,2,4-triazole-3-carbonyl)pyridine

CAS No.:

1483129-37-8

Catalog Number:

AG01AC1D

Molecular Formula:

C8H6N4O

Molecular Weight:

174.1594

Catalog Number:

AG01AC1D

Chemical Name:

3-(4H-1,2,4-triazole-3-carbonyl)pyridine

CAS Number:

1483129-37-8

Molecular Formula:

C8H6N4O

Molecular Weight:

174.1594

MDL Number:

MFCD21194692

IUPAC Name:

pyridin-3-yl(1H-1,2,4-triazol-5-yl)methanone

InChI:

InChI=1S/C8H6N4O/c13-7(8-10-5-11-12-8)6-2-1-3-9-4-6/h1-5H,(H,10,11,12)

InChI Key:

AKQMGFOUEMIPJW-UHFFFAOYSA-N

SMILES:

O=C(c1nnc[nH]1)c1cccnc1

Complexity:

197

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

174.054g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

174.163g/mol

Monoisotopic Mass:

174.054g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6