1,8-dimethylpyrido[2,3-d]pyridazin-2-one

C9H9N3O — CID 175819591

IUPAC1,8-dimethylpyrido[2,3-d]pyridazin-2-one
SMILESCc1nncc2ccc(=O)n(C)c12
InChIInChI=1S/C9H9N3O/c1-6-9-7(5-10-11-6)3-4-8(13)12(9)2/h3-5H,1-2H3
InChIKeyCIBFFOXMVCZJKX-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.64
Rot. Bonds

About 1,8-dimethylpyrido[2,3-d]pyridazin-2-one

1,8-dimethylpyrido[2,3-d]pyridazin-2-one (PubChem CID 175819591) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 1,8-dimethylpyrido[2,3-d]pyridazin-2-one.

Molecular Properties

Compound Name1,8-dimethylpyrido[2,3-d]pyridazin-2-one
PubChem CID175819591
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name1,8-dimethylpyrido[2,3-d]pyridazin-2-one
SMILESCc1nncc2ccc(=O)n(C)c12
InChIInChI=1S/C9H9N3O/c1-6-9-7(5-10-11-6)3-4-8(13)12(9)2/h3-5H,1-2H3
InChIKeyCIBFFOXMVCZJKX-UHFFFAOYSA-N
XLogP0.64
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-phenyl-1H-pyrido[2,3-d]pyridazin-2-one
CID 11593771
3-bromo-8-(2,4-difluorophenyl)-1-methylpyrido[3,2-d]pyridazin-2(1H)-one
CID 46930537
CID 88587136
CID 88587136
1-Methylpyrido[2,3-d]pyridazin-2-one
CID 67003493
5-ethyl-1H-pyrido[2,3-d]pyridazin-2-one
CID 67518949
1-(3-Pentylpyridazin-4-yl)pyrrole-2,5-dione
CID 70171467
2-methyl-N-(3-phenylpyridazin-4-yl)prop-2-enamide
CID 70533187
5-propan-2-yl-1H-pyrido[2,3-d]pyridazin-2-one
CID 90334258
5-methyl-1H-pyrido[2,3-d]pyridazin-2-one
CID 118521217
8-methyl-1H-pyrido[2,3-d]pyridazin-2-one
CID 123144248
N-methyl-N-(6-propan-2-ylpyridazin-4-yl)acetamide
CID 156096996
5-Methyl-8-propan-2-ylpyrido[3,2-c]pyridazin-6-one
CID 163610005

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethylpyrido[2,3-d]pyridazin-2-one?
The IUPAC name of 1,8-dimethylpyrido[2,3-d]pyridazin-2-one (CID 175819591) is 1,8-dimethylpyrido[2,3-d]pyridazin-2-one.
What is the SMILES notation for 1,8-dimethylpyrido[2,3-d]pyridazin-2-one?
The canonical SMILES for 1,8-dimethylpyrido[2,3-d]pyridazin-2-one is Cc1nncc2ccc(=O)n(C)c12.
What is the InChIKey of 1,8-dimethylpyrido[2,3-d]pyridazin-2-one?
The InChIKey is CIBFFOXMVCZJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-6-9-7(5-10-11-6)3-4-8(13)12(9)2/h3-5H,1-2H3.
What are the key properties of 1,8-dimethylpyrido[2,3-d]pyridazin-2-one?
1,8-dimethylpyrido[2,3-d]pyridazin-2-one has a molecular weight of 175.19 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethylpyrido[2,3-d]pyridazin-2-one is sourced from PubChem (CID 175819591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).