Name: Name:1-(isoquinolin-5-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01AGVW
Rating: 90 (10 reviews)

1-(isoquinolin-5-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1157925-42-2

Catalog Number:

AG01AGVW

Molecular Formula:

C13H10N4O2

Molecular Weight:

254.2441

Catalog Number:

AG01AGVW

Chemical Name:

1-(isoquinolin-5-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1157925-42-2

Molecular Formula:

C13H10N4O2

Molecular Weight:

254.2441

MDL Number:

MFCD12719345

IUPAC Name:

1-isoquinolin-5-yl-5-methyltriazole-4-carboxylic acid

InChI:

InChI=1S/C13H10N4O2/c1-8-12(13(18)19)15-16-17(8)11-4-2-3-9-7-14-6-5-10(9)11/h2-7H,1H3,(H,18,19)

InChI Key:

FTBANTRUXTUBNR-UHFFFAOYSA-N

SMILES:

OC(=O)c1nnn(c1C)c1cccc2c1ccnc2

Complexity:

352

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.249g/mol

Monoisotopic Mass:

254.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8