Name: Name:1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01BEO7
Rating: 90 (10 reviews)

1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1247778-45-5

Catalog Number:

AG01BEO7

Molecular Formula:

C7H7N5O3

Molecular Weight:

209.1622

Catalog Number:

AG01BEO7

Chemical Name:

1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1247778-45-5

Molecular Formula:

C7H7N5O3

Molecular Weight:

209.1622

MDL Number:

MFCD16666489

IUPAC Name:

1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxylic acid

InChI:

InChI=1S/C7H7N5O3/c1-4-8-6(10-15-4)3-12-2-5(7(13)14)9-11-12/h2H,3H2,1H3,(H,13,14)

InChI Key:

NFQHTAYHAXKBCN-UHFFFAOYSA-N

SMILES:

Cc1onc(n1)Cn1nnc(c1)C(=O)O

Complexity:

251

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

209.055g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

209.165g/mol

Monoisotopic Mass:

209.055g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

107A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2