Name: Name:3-{6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanoic acid
Brand: Angene
SKU: AG01BK5B
Rating: 90 (10 reviews)

3-{6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanoic acid

CAS No.:

902502-24-3

Catalog Number:

AG01BK5B

Molecular Formula:

C8H7ClN4O2

Molecular Weight:

226.6198

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG01BK5B

Chemical Name:

3-{6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanoic acid

CAS Number:

902502-24-3

Molecular Formula:

C8H7ClN4O2

Molecular Weight:

226.6198

MDL Number:

MFCD11868225

IUPAC Name:

3-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoic acid

InChI:

InChI=1S/C8H7ClN4O2/c9-5-1-2-6-10-11-7(13(6)12-5)3-4-8(14)15/h1-2H,3-4H2,(H,14,15)

InChI Key:

DNEWIPRSCXMUJE-UHFFFAOYSA-N

SMILES:

OC(=O)CCc1nnc2n1nc(Cl)cc2

Properties

Complexity:

253

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.026g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.62g/mol

Monoisotopic Mass:

226.026g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101