Name: Name:methyl 2-{6-chloro-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl}acetate
Brand: Angene
SKU: AG01A06H
Rating: 90 (10 reviews)

methyl 2-{6-chloro-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl}acetate

CAS No.:

1394041-52-1

Catalog Number:

AG01A06H

Molecular Formula:

C8H7ClN4O3

Molecular Weight:

242.6192

Catalog Number:

AG01A06H

Chemical Name:

methyl 2-{6-chloro-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl}acetate

CAS Number:

1394041-52-1

Molecular Formula:

C8H7ClN4O3

Molecular Weight:

242.6192

MDL Number:

MFCD22378647

IUPAC Name:

methyl 2-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetate

InChI:

InChI=1S/C8H7ClN4O3/c1-16-7(14)4-12-8(15)13-6(11-12)3-2-5(9)10-13/h2-3H,4H2,1H3

InChI Key:

UDMIMFLYNLCVAL-UHFFFAOYSA-N

SMILES:

COC(=O)Cn1nc2n(c1=O)nc(cc2)Cl

Complexity:

443

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

242.021g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

242.619g/mol

Monoisotopic Mass:

242.021g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3