Name: Name:Ethyl 5-benzyl-4H-1,2,4-triazole-3-carboxylate
Brand: Angene
SKU: AG00EL3M
Rating: 90 (10 reviews)

Ethyl 5-benzyl-4H-1,2,4-triazole-3-carboxylate

CAS No.:

648430-85-7

Catalog Number:

AG00EL3M

Molecular Formula:

C12H13N3O2

Molecular Weight:

231.2505

Catalog Number:

AG00EL3M

Chemical Name:

Ethyl 5-benzyl-4H-1,2,4-triazole-3-carboxylate

CAS Number:

648430-85-7

Molecular Formula:

C12H13N3O2

Molecular Weight:

231.2505

MDL Number:

MFCD19482176

IUPAC Name:

ethyl 5-benzyl-1H-1,2,4-triazole-3-carboxylate

InChI:

InChI=1S/C12H13N3O2/c1-2-17-12(16)11-13-10(14-15-11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,14,15)

InChI Key:

ZDYNKUMTNKZJGQ-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1nnc([nH]1)Cc1ccccc1

Complexity:

254

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.255g/mol

Monoisotopic Mass:

231.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5