Name: Name:1,2,4-Triazolo[4,3-b]pyridazine-3-carboxylic acid, 6-chloro-, methyl ester
Brand: Angene
SKU: AG00ICPS
Rating: 90 (10 reviews)

1,2,4-Triazolo[4,3-b]pyridazine-3-carboxylic acid, 6-chloro-, methyl ester

CAS No.:

76196-04-8

Catalog Number:

AG00ICPS

Molecular Formula:

C7H5ClN4O2

Molecular Weight:

212.5932

Catalog Number:

AG00ICPS

Chemical Name:

1,2,4-Triazolo[4,3-b]pyridazine-3-carboxylic acid, 6-chloro-, methyl ester

CAS Number:

76196-04-8

Molecular Formula:

C7H5ClN4O2

Molecular Weight:

212.5932

MDL Number:

MFCD17016121

IUPAC Name:

methyl 6-chloro-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylate

InChI:

InChI=1S/C7H5ClN4O2/c1-14-7(13)6-10-9-5-3-2-4(8)11-12(5)6/h2-3H,1H3

InChI Key:

KJMOKXCJHYOOCS-UHFFFAOYSA-N

SMILES:

COC(=O)c1nnc2n1nc(Cl)cc2

Complexity:

240

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

212.01g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

212.593g/mol

Monoisotopic Mass:

212.01g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9