4-chloro-1,6-dimethylpyrido[3,4-d]pyridazin-5-one

C9H8ClN3O — CID 169259002

IUPAC4-chloro-1,6-dimethylpyrido[3,4-d]pyridazin-5-one
SMILESCc1nnc(Cl)c2c(=O)n(C)ccc12
InChIInChI=1S/C9H8ClN3O/c1-5-6-3-4-13(2)9(14)7(6)8(10)12-11-5/h3-4H,1-2H3
InChIKeyPJMCKUFHYCVUKH-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.29
Rot. Bonds

About 4-chloro-1,6-dimethylpyrido[3,4-d]pyridazin-5-one

4-chloro-1,6-dimethylpyrido[3,4-d]pyridazin-5-one (PubChem CID 169259002) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 4-chloro-1,6-dimethylpyrido[3,4-d]pyridazin-5-one.

Molecular Properties

Compound Name4-chloro-1,6-dimethylpyrido[3,4-d]pyridazin-5-one
PubChem CID169259002
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name4-chloro-1,6-dimethylpyrido[3,4-d]pyridazin-5-one
SMILESCc1nnc(Cl)c2c(=O)n(C)ccc12
InChIInChI=1S/C9H8ClN3O/c1-5-6-3-4-13(2)9(14)7(6)8(10)12-11-5/h3-4H,1-2H3
InChIKeyPJMCKUFHYCVUKH-UHFFFAOYSA-N
XLogP1.29
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,6-dimethylpyrido[3,4-d]pyridazin-5-one?
The IUPAC name of 4-chloro-1,6-dimethylpyrido[3,4-d]pyridazin-5-one (CID 169259002) is 4-chloro-1,6-dimethylpyrido[3,4-d]pyridazin-5-one.
What is the SMILES notation for 4-chloro-1,6-dimethylpyrido[3,4-d]pyridazin-5-one?
The canonical SMILES for 4-chloro-1,6-dimethylpyrido[3,4-d]pyridazin-5-one is Cc1nnc(Cl)c2c(=O)n(C)ccc12.
What is the InChIKey of 4-chloro-1,6-dimethylpyrido[3,4-d]pyridazin-5-one?
The InChIKey is PJMCKUFHYCVUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-5-6-3-4-13(2)9(14)7(6)8(10)12-11-5/h3-4H,1-2H3.
What are the key properties of 4-chloro-1,6-dimethylpyrido[3,4-d]pyridazin-5-one?
4-chloro-1,6-dimethylpyrido[3,4-d]pyridazin-5-one has a molecular weight of 209.64 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,6-dimethylpyrido[3,4-d]pyridazin-5-one is sourced from PubChem (CID 169259002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).