Name: Name:1H-1,2,4-Triazole-5-carboxylic acid, 3-Methyl-1-(1-Methylethyl)-, ethyl ester
Brand: Angene
SKU: AG009C67
Rating: 90 (10 reviews)

1H-1,2,4-Triazole-5-carboxylic acid, 3-Methyl-1-(1-Methylethyl)-, ethyl ester

CAS No.:

1282517-47-8

Catalog Number:

AG009C67

Molecular Formula:

C9H15N3O2

Molecular Weight:

197.2343

Catalog Number:

AG009C67

Chemical Name:

1H-1,2,4-Triazole-5-carboxylic acid, 3-Methyl-1-(1-Methylethyl)-, ethyl ester

CAS Number:

1282517-47-8

Molecular Formula:

C9H15N3O2

Molecular Weight:

197.2343

MDL Number:

MFCD28347552

IUPAC Name:

ethyl 5-methyl-2-propan-2-yl-1,2,4-triazole-3-carboxylate

InChI:

InChI=1S/C9H15N3O2/c1-5-14-9(13)8-10-7(4)11-12(8)6(2)3/h6H,5H2,1-4H3

InChI Key:

DECOLNWFMFNEET-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1nc(nn1C(C)C)C

Complexity:

208

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

197.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

197.238g/mol

Monoisotopic Mass:

197.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7