Name: Name:5-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01ANDD
Rating: 90 (10 reviews)

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

CAS No.:

1251228-33-7

Catalog Number:

AG01ANDD

Molecular Formula:

C8H9N5O3

Molecular Weight:

223.1888

Catalog Number:

AG01ANDD

Chemical Name:

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

CAS Number:

1251228-33-7

Molecular Formula:

C8H9N5O3

Molecular Weight:

223.1888

MDL Number:

MFCD16674351

IUPAC Name:

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

InChI:

InChI=1S/C8H9N5O3/c1-4-7(8(14)15)11-12-13(4)3-6-10-9-5(2)16-6/h3H2,1-2H3,(H,14,15)

InChI Key:

KDNHUJAOGMGFQA-UHFFFAOYSA-N

SMILES:

Cc1nnc(o1)Cn1nnc(c1C)C(=O)O

Complexity:

276

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

223.071g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

223.192g/mol

Monoisotopic Mass:

223.071g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

107A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2