7-methyl-8-methylidene-6H-pyrido[2,3-d]pyridazin-5-one

C9H9N3O — CID 118928705

IUPAC7-methyl-8-methylidene-6H-pyrido[2,3-d]pyridazin-5-one
SMILESC=C1c2ncccc2C(=O)NN1C
InChIInChI=1S/C9H9N3O/c1-6-8-7(4-3-5-10-8)9(13)11-12(6)2/h3-5H,1H2,2H3,(H,11,13)
InChIKeyHUOZJXYDIANBTH-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.64
Rot. Bonds

About 7-methyl-8-methylidene-6H-pyrido[2,3-d]pyridazin-5-one

7-methyl-8-methylidene-6H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 118928705) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 7-methyl-8-methylidene-6H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name7-methyl-8-methylidene-6H-pyrido[2,3-d]pyridazin-5-one
PubChem CID118928705
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name7-methyl-8-methylidene-6H-pyrido[2,3-d]pyridazin-5-one
SMILESC=C1c2ncccc2C(=O)NN1C
InChIInChI=1S/C9H9N3O/c1-6-8-7(4-3-5-10-8)9(13)11-12(6)2/h3-5H,1H2,2H3,(H,11,13)
InChIKeyHUOZJXYDIANBTH-UHFFFAOYSA-N
XLogP0.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-methylidene-6H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 7-methyl-8-methylidene-6H-pyrido[2,3-d]pyridazin-5-one (CID 118928705) is 7-methyl-8-methylidene-6H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 7-methyl-8-methylidene-6H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 7-methyl-8-methylidene-6H-pyrido[2,3-d]pyridazin-5-one is C=C1c2ncccc2C(=O)NN1C.
What is the InChIKey of 7-methyl-8-methylidene-6H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is HUOZJXYDIANBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-6-8-7(4-3-5-10-8)9(13)11-12(6)2/h3-5H,1H2,2H3,(H,11,13).
What are the key properties of 7-methyl-8-methylidene-6H-pyrido[2,3-d]pyridazin-5-one?
7-methyl-8-methylidene-6H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 175.19 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-methylidene-6H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 118928705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).