Name: Name:2-(3-isopropyl-1-methyl-1H-1,2,4-triazol-5-yl)acetic acid
Brand: Angene
SKU: AG01BHWU
Rating: 90 (10 reviews)

2-(3-isopropyl-1-methyl-1H-1,2,4-triazol-5-yl)acetic acid

CAS No.:

1341160-14-2

Catalog Number:

AG01BHWU

Molecular Formula:

C8H13N3O2

Molecular Weight:

183.2077

Catalog Number:

AG01BHWU

Chemical Name:

2-(3-isopropyl-1-methyl-1H-1,2,4-triazol-5-yl)acetic acid

CAS Number:

1341160-14-2

Molecular Formula:

C8H13N3O2

Molecular Weight:

183.2077

MDL Number:

MFCD16858948

IUPAC Name:

2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetic acid

InChI:

InChI=1S/C8H13N3O2/c1-5(2)8-9-6(4-7(12)13)11(3)10-8/h5H,4H2,1-3H3,(H,12,13)

InChI Key:

IKOPYKJXRKDTJV-UHFFFAOYSA-N

SMILES:

CC(c1nc(n(n1)C)CC(=O)O)C

Complexity:

196

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

183.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

183.211g/mol

Monoisotopic Mass:

183.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7