3-methyl-1H-pyrido[2,3-c]pyridazin-4-one

C8H7N3O — CID 20772222

IUPAC3-methyl-1H-pyrido[2,3-c]pyridazin-4-one
SMILESCc1n[nH]c2ncccc2c1=O
InChIInChI=1S/C8H7N3O/c1-5-7(12)6-3-2-4-9-8(6)11-10-5/h2-4H,1H3,(H,9,11,12)
InChIKeyQTDXGAKOEDBEPU-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.63
Rot. Bonds

About 3-methyl-1H-pyrido[2,3-c]pyridazin-4-one

3-methyl-1H-pyrido[2,3-c]pyridazin-4-one (PubChem CID 20772222) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-methyl-1H-pyrido[2,3-c]pyridazin-4-one.

Molecular Properties

Compound Name3-methyl-1H-pyrido[2,3-c]pyridazin-4-one
PubChem CID20772222
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name3-methyl-1H-pyrido[2,3-c]pyridazin-4-one
SMILESCc1n[nH]c2ncccc2c1=O
InChIInChI=1S/C8H7N3O/c1-5-7(12)6-3-2-4-9-8(6)11-10-5/h2-4H,1H3,(H,9,11,12)
InChIKeyQTDXGAKOEDBEPU-UHFFFAOYSA-N
XLogP0.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-pyrido[2,3-c]pyridazin-4-one?
The IUPAC name of 3-methyl-1H-pyrido[2,3-c]pyridazin-4-one (CID 20772222) is 3-methyl-1H-pyrido[2,3-c]pyridazin-4-one.
What is the SMILES notation for 3-methyl-1H-pyrido[2,3-c]pyridazin-4-one?
The canonical SMILES for 3-methyl-1H-pyrido[2,3-c]pyridazin-4-one is Cc1n[nH]c2ncccc2c1=O.
What is the InChIKey of 3-methyl-1H-pyrido[2,3-c]pyridazin-4-one?
The InChIKey is QTDXGAKOEDBEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-5-7(12)6-3-2-4-9-8(6)11-10-5/h2-4H,1H3,(H,9,11,12).
What are the key properties of 3-methyl-1H-pyrido[2,3-c]pyridazin-4-one?
3-methyl-1H-pyrido[2,3-c]pyridazin-4-one has a molecular weight of 161.16 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-pyrido[2,3-c]pyridazin-4-one is sourced from PubChem (CID 20772222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).