Name: Name:5-amino-N-benzyl-4H-1,2,4-triazole-3-carboxamide
Brand: Angene
SKU: AG01ELQJ
Rating: 90 (10 reviews)

5-amino-N-benzyl-4H-1,2,4-triazole-3-carboxamide

CAS No.:

199291-99-1

Catalog Number:

AG01ELQJ

Molecular Formula:

C10H11N5O

Molecular Weight:

217.2272

Catalog Number:

AG01ELQJ

Chemical Name:

5-amino-N-benzyl-4H-1,2,4-triazole-3-carboxamide

CAS Number:

199291-99-1

Molecular Formula:

C10H11N5O

Molecular Weight:

217.2272

MDL Number:

MFCD01247035

IUPAC Name:

3-amino-N-benzyl-1H-1,2,4-triazole-5-carboxamide

InChI:

InChI=1S/C10H11N5O/c11-10-13-8(14-15-10)9(16)12-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,12,16)(H3,11,13,14,15)

InChI Key:

LOIWQVIVNXXLAD-UHFFFAOYSA-N

SMILES:

O=C(c1nnc([nH]1)N)NCc1ccccc1

Complexity:

241

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

217.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

217.232g/mol

Monoisotopic Mass:

217.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

96.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7