5,6,7,8-tetrahydro-2H-pyrido[3,4-d]pyridazin-1-one

C7H9N3O — CID 71743925

IUPAC5,6,7,8-tetrahydro-2H-pyrido[3,4-d]pyridazin-1-one
SMILESO=c1[nH]ncc2c1CCNC2
InChIInChI=1S/C7H9N3O/c11-7-6-1-2-8-3-5(6)4-9-10-7/h4,8H,1-3H2,(H,10,11)
InChIKeyQXIYTSXNJSIWFZ-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.58
Rot. Bonds

About 5,6,7,8-tetrahydro-2H-pyrido[3,4-d]pyridazin-1-one

5,6,7,8-tetrahydro-2H-pyrido[3,4-d]pyridazin-1-one (PubChem CID 71743925) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-2H-pyrido[3,4-d]pyridazin-1-one.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-2H-pyrido[3,4-d]pyridazin-1-one
PubChem CID71743925
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name5,6,7,8-tetrahydro-2H-pyrido[3,4-d]pyridazin-1-one
SMILESO=c1[nH]ncc2c1CCNC2
InChIInChI=1S/C7H9N3O/c11-7-6-1-2-8-3-5(6)4-9-10-7/h4,8H,1-3H2,(H,10,11)
InChIKeyQXIYTSXNJSIWFZ-UHFFFAOYSA-N
XLogP-0.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5,6,7,8-tetrahydro-2H-pyrido[3,4-d]pyridazin-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-2H-pyrido[3,4-d]pyridazin-1-one?
The IUPAC name of 5,6,7,8-tetrahydro-2H-pyrido[3,4-d]pyridazin-1-one (CID 71743925) is 5,6,7,8-tetrahydro-2H-pyrido[3,4-d]pyridazin-1-one.
What is the SMILES notation for 5,6,7,8-tetrahydro-2H-pyrido[3,4-d]pyridazin-1-one?
The canonical SMILES for 5,6,7,8-tetrahydro-2H-pyrido[3,4-d]pyridazin-1-one is O=c1[nH]ncc2c1CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydro-2H-pyrido[3,4-d]pyridazin-1-one?
The InChIKey is QXIYTSXNJSIWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-7-6-1-2-8-3-5(6)4-9-10-7/h4,8H,1-3H2,(H,10,11).
What are the key properties of 5,6,7,8-tetrahydro-2H-pyrido[3,4-d]pyridazin-1-one?
5,6,7,8-tetrahydro-2H-pyrido[3,4-d]pyridazin-1-one has a molecular weight of 151.17 g/mol, XLogP of -0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-2H-pyrido[3,4-d]pyridazin-1-one is sourced from PubChem (CID 71743925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).