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Home > Pyridines > 2044834-56-0
2044834-56-0 | 1-methyl-4-{5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-yl}-1H-pyrazole
CAS No: 2044834-56-0 Catalog No: AG01BUW3 MDL No:MFCD30476189
Product Description
Catalog Number:
AG01BUW3
Chemical Name:
1-methyl-4-{5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-yl}-1H-pyrazole
CAS Number:
2044834-56-0
Molecular Formula:
C11H13N5
Molecular Weight:
215.2544
MDL Number:
MFCD30476189
IUPAC Name:
3-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
InChI:
InChI=1S/C11H13N5/c1-16-7-9(6-13-16)11-4-8-5-12-3-2-10(8)14-15-11/h4,6-7,12H,2-3,5H2,1H3
InChI Key:
PAOGPRFDDNAJOP-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)c1nnc2c(c1)CNCC2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.117g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.26g/mol
Monoisotopic Mass:
215.117g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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