6-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

C14H15BrN4O — CID 133403629

IUPAC6-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCc1cc(N2CCc3nn(C)c(=O)cc3C2)ncc1Br
InChIInChI=1S/C14H15BrN4O/c1-9-5-13(16-7-11(9)15)19-4-3-12-10(8-19)6-14(20)18(2)17-12/h5-7H,3-4,8H2,1-2H3
InChIKeyYIAKAINCBOXXSQ-UHFFFAOYSA-N
MW335.21 g/mol
LogP1.81
Rot. Bonds1

About 6-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

6-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 133403629) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 6-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name6-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID133403629
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name6-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCc1cc(N2CCc3nn(C)c(=O)cc3C2)ncc1Br
InChIInChI=1S/C14H15BrN4O/c1-9-5-13(16-7-11(9)15)19-4-3-12-10(8-19)6-14(20)18(2)17-12/h5-7H,3-4,8H2,1-2H3
InChIKeyYIAKAINCBOXXSQ-UHFFFAOYSA-N
XLogP1.81
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 6-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (CID 133403629) is 6-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 6-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 6-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is Cc1cc(N2CCc3nn(C)c(=O)cc3C2)ncc1Br.
What is the InChIKey of 6-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is YIAKAINCBOXXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-9-5-13(16-7-11(9)15)19-4-3-12-10(8-19)6-14(20)18(2)17-12/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 6-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
6-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 335.21 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 133403629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).