6H-pyrido[3,4-d]pyridazin-7-one

C7H5N3O — CID 163829766

IUPAC6H-pyrido[3,4-d]pyridazin-7-one
SMILESO=c1cc2cnncc2c[nH]1
InChIInChI=1S/C7H5N3O/c11-7-1-5-3-9-10-4-6(5)2-8-7/h1-4H,(H,8,11)
InChIKeyOCRGQWBGVYXCMZ-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.32
Rot. Bonds

About 6H-pyrido[3,4-d]pyridazin-7-one

6H-pyrido[3,4-d]pyridazin-7-one (PubChem CID 163829766) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 6H-pyrido[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name6H-pyrido[3,4-d]pyridazin-7-one
PubChem CID163829766
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name6H-pyrido[3,4-d]pyridazin-7-one
SMILESO=c1cc2cnncc2c[nH]1
InChIInChI=1S/C7H5N3O/c11-7-1-5-3-9-10-4-6(5)2-8-7/h1-4H,(H,8,11)
InChIKeyOCRGQWBGVYXCMZ-UHFFFAOYSA-N
XLogP0.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6H-pyrido[3,4-d]pyridazin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-2H-2,6-naphthyridin-3-one
CID 138754785
3H-pyrimido[4,5-d]pyridazin-2-one
CID 123741261
6-hydroxy-2H-isoquinolin-3-one
CID 57268567
2-methyl-6H-pyrido[3,4-d]pyridazine-1,7-dione
CID 170776049
6-bromo-7-fluoro-2H-isoquinolin-3-one
CID 103351518
3-bromo-6H-pyrido[3,4-b]pyrazin-7-one
CID 22268251
1-hydroxy-5H-pyrrolo[3,2-c]pyridin-6-one
CID 118518302
N-(3-oxo-2H-isoquinolin-6-yl)formamide
CID 168653620
7-fluoro-6-methoxy-2H-isoquinolin-3-one
CID 144609848
6-isocyanato-2H-isoquinolin-3-one
CID 169353649
5-chloro-2H-isoquinolin-3-one
CID 67521260
3,5-dihydroimidazo[4,5-c]pyridin-6-one
CID 57313405

Frequently Asked Questions

What is the IUPAC name of 6H-pyrido[3,4-d]pyridazin-7-one?
The IUPAC name of 6H-pyrido[3,4-d]pyridazin-7-one (CID 163829766) is 6H-pyrido[3,4-d]pyridazin-7-one.
What is the SMILES notation for 6H-pyrido[3,4-d]pyridazin-7-one?
The canonical SMILES for 6H-pyrido[3,4-d]pyridazin-7-one is O=c1cc2cnncc2c[nH]1.
What is the InChIKey of 6H-pyrido[3,4-d]pyridazin-7-one?
The InChIKey is OCRGQWBGVYXCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c11-7-1-5-3-9-10-4-6(5)2-8-7/h1-4H,(H,8,11).
What are the key properties of 6H-pyrido[3,4-d]pyridazin-7-one?
6H-pyrido[3,4-d]pyridazin-7-one has a molecular weight of 147.14 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-pyrido[3,4-d]pyridazin-7-one is sourced from PubChem (CID 163829766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).