Name: Name:4-(3-((1H-1,2,4-Triazol-1-yl)methyl)-1H-1,2,4-triazol-5-yl)pyridine
Brand: Angene
SKU: AG003KKZ
Rating: 90 (10 reviews)

4-(3-((1H-1,2,4-Triazol-1-yl)methyl)-1H-1,2,4-triazol-5-yl)pyridine

CAS No.:

477852-54-3

Catalog Number:

AG003KKZ

Molecular Formula:

C10H9N7

Molecular Weight:

227.2254

Catalog Number:

AG003KKZ

Chemical Name:

4-(3-((1H-1,2,4-Triazol-1-yl)methyl)-1H-1,2,4-triazol-5-yl)pyridine

CAS Number:

477852-54-3

Molecular Formula:

C10H9N7

Molecular Weight:

227.2254

MDL Number:

MFCD00201989

IUPAC Name:

4-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]pyridine

InChI:

InChI=1S/C10H9N7/c1-3-11-4-2-8(1)10-14-9(15-16-10)5-17-7-12-6-13-17/h1-4,6-7H,5H2,(H,14,15,16)

InChI Key:

RBVLQEBVMNFNCU-UHFFFAOYSA-N

SMILES:

n1ccc(cc1)c1[nH]nc(n1)Cn1cncn1

Complexity:

243

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.092g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.231g/mol

Monoisotopic Mass:

227.092g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3