Name: Name:1H-1,2,4-Triazole-5-acetic acid, 3-methyl-, ethyl ester
Brand: Angene
SKU: AG000160
Rating: 90 (10 reviews)

1H-1,2,4-Triazole-5-acetic acid, 3-methyl-, ethyl ester

CAS No.:

100187-10-8

Catalog Number:

AG000160

Molecular Formula:

C7H11N3O2

Molecular Weight:

169.1811

Catalog Number:

AG000160

Chemical Name:

1H-1,2,4-Triazole-5-acetic acid, 3-methyl-, ethyl ester

CAS Number:

100187-10-8

Molecular Formula:

C7H11N3O2

Molecular Weight:

169.1811

MDL Number:

MFCD11973618

IUPAC Name:

ethyl 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetate

InChI:

InChI=1S/C7H11N3O2/c1-3-12-7(11)4-6-8-5(2)9-10-6/h3-4H2,1-2H3,(H,8,9,10)

InChI Key:

VAONPPCFYKJZBF-UHFFFAOYSA-N

SMILES:

CCOC(=O)Cc1[nH]nc(n1)C

Complexity:

163

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

169.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

169.184g/mol

Monoisotopic Mass:

169.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6