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2044834-57-1

2044834-57-1 | 1-methyl-4-{5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-yl}-1H-pyrazole dihydrochloride

CAS No: 2044834-57-1 Catalog No: AG01BVLR MDL No:MFCD30476468

Product Description

Catalog Number:
AG01BVLR
Chemical Name:
1-methyl-4-{5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-yl}-1H-pyrazole dihydrochloride
CAS Number:
2044834-57-1
Molecular Formula:
C11H15Cl2N5
Molecular Weight:
288.1763
MDL Number:
MFCD30476468
IUPAC Name:
3-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;dihydrochloride
InChI:
InChI=1S/C11H13N5.2ClH/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;2*1H
InChI Key:
LBTGELWTLMHEIA-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)c1nnc2c(c1)CNCC2.Cl.Cl

Properties

Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.07g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
288.176g/mol
Monoisotopic Mass:
287.07g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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