3-chloro-7-methyl-5-propan-2-ylimidazo[4,5-c]pyridazin-6-one

C9H11ClN4O — CID 170722684

IUPAC3-chloro-7-methyl-5-propan-2-ylimidazo[4,5-c]pyridazin-6-one
SMILESCC(C)n1c(=O)n(C)c2nnc(Cl)cc21
InChIInChI=1S/C9H11ClN4O/c1-5(2)14-6-4-7(10)11-12-8(6)13(3)9(14)15/h4-5H,1-3H3
InChIKeyUZVDGZGNCOGDAX-UHFFFAOYSA-N
MW226.67 g/mol
LogP1.36
Rot. Bonds1

About 3-chloro-7-methyl-5-propan-2-ylimidazo[4,5-c]pyridazin-6-one

3-chloro-7-methyl-5-propan-2-ylimidazo[4,5-c]pyridazin-6-one (PubChem CID 170722684) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is 3-chloro-7-methyl-5-propan-2-ylimidazo[4,5-c]pyridazin-6-one.

Molecular Properties

Compound Name3-chloro-7-methyl-5-propan-2-ylimidazo[4,5-c]pyridazin-6-one
PubChem CID170722684
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC Name3-chloro-7-methyl-5-propan-2-ylimidazo[4,5-c]pyridazin-6-one
SMILESCC(C)n1c(=O)n(C)c2nnc(Cl)cc21
InChIInChI=1S/C9H11ClN4O/c1-5(2)14-6-4-7(10)11-12-8(6)13(3)9(14)15/h4-5H,1-3H3
InChIKeyUZVDGZGNCOGDAX-UHFFFAOYSA-N
XLogP1.36
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-methyl-5-propan-2-ylimidazo[4,5-c]pyridazin-6-one?
The IUPAC name of 3-chloro-7-methyl-5-propan-2-ylimidazo[4,5-c]pyridazin-6-one (CID 170722684) is 3-chloro-7-methyl-5-propan-2-ylimidazo[4,5-c]pyridazin-6-one.
What is the SMILES notation for 3-chloro-7-methyl-5-propan-2-ylimidazo[4,5-c]pyridazin-6-one?
The canonical SMILES for 3-chloro-7-methyl-5-propan-2-ylimidazo[4,5-c]pyridazin-6-one is CC(C)n1c(=O)n(C)c2nnc(Cl)cc21.
What is the InChIKey of 3-chloro-7-methyl-5-propan-2-ylimidazo[4,5-c]pyridazin-6-one?
The InChIKey is UZVDGZGNCOGDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O/c1-5(2)14-6-4-7(10)11-12-8(6)13(3)9(14)15/h4-5H,1-3H3.
What are the key properties of 3-chloro-7-methyl-5-propan-2-ylimidazo[4,5-c]pyridazin-6-one?
3-chloro-7-methyl-5-propan-2-ylimidazo[4,5-c]pyridazin-6-one has a molecular weight of 226.67 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-methyl-5-propan-2-ylimidazo[4,5-c]pyridazin-6-one is sourced from PubChem (CID 170722684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).