Name: Name:1H-1,2,4-Triazole-5-carboxylicacid,1-methyl-,methylester(9CI)
Brand: Angene
SKU: AG00EKU2
Rating: 90 (10 reviews)

1H-1,2,4-Triazole-5-carboxylicacid,1-methyl-,methylester(9CI)

CAS No.:

57031-65-9

Catalog Number:

AG00EKU2

Molecular Formula:

C5H7N3O2

Molecular Weight:

141.1280

Catalog Number:

AG00EKU2

Chemical Name:

1H-1,2,4-Triazole-5-carboxylicacid,1-methyl-,methylester(9CI)

CAS Number:

57031-65-9

Molecular Formula:

C5H7N3O2

Molecular Weight:

141.1280

MDL Number:

MFCD11100115

IUPAC Name:

methyl 2-methyl-1,2,4-triazole-3-carboxylate

InChI:

InChI=1S/C5H7N3O2/c1-8-4(5(9)10-2)6-3-7-8/h3H,1-2H3

InChI Key:

XOGWSBKYAIGMAS-UHFFFAOYSA-N

SMILES:

COC(=O)c1ncnn1C

Complexity:

139

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

141.054g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

141.13g/mol

Monoisotopic Mass:

141.054g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2