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85839-77-6 | Pyrido[3,2-c]pyridazine-7-carboxamide, 6-amino-3-methyl-
CAS No: 85839-77-6 Catalog No: AG004XEB MDL No:
Product Description
Catalog Number:
AG004XEB
Chemical Name:
Pyrido[3,2-c]pyridazine-7-carboxamide, 6-amino-3-methyl-
CAS Number:
85839-77-6
Molecular Formula:
C9H9N5O
Molecular Weight:
203.2007
IUPAC Name:
6-amino-3-methylpyrido[3,2-c]pyridazine-7-carboxamide
InChI:
InChI=1S/C9H9N5O/c1-4-2-6-7(14-13-4)3-5(9(11)15)8(10)12-6/h2-3H,1H3,(H2,10,12)(H2,11,15)
InChI Key:
VWUMKZHKSRNZOS-UHFFFAOYSA-N
SMILES:
Cc1cc2nc(N)c(cc2nn1)C(=O)N
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.205g/mol
Monoisotopic Mass:
203.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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