2-pyridin-2-yl-6H-pyrimido[4,5-d]pyridazin-5-one

C11H7N5O — CID 71224282

IUPAC2-pyridin-2-yl-6H-pyrimido[4,5-d]pyridazin-5-one
SMILESO=c1[nH]ncc2nc(-c3ccccn3)ncc12
InChIInChI=1S/C11H7N5O/c17-11-7-5-13-10(8-3-1-2-4-12-8)15-9(7)6-14-16-11/h1-6H,(H,16,17)
InChIKeyXVSJWHJUSHUBAT-UHFFFAOYSA-N
MW225.21 g/mol
LogP0.78
Rot. Bonds1

About 2-pyridin-2-yl-6H-pyrimido[4,5-d]pyridazin-5-one

2-pyridin-2-yl-6H-pyrimido[4,5-d]pyridazin-5-one (PubChem CID 71224282) has the molecular formula C11H7N5O and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-pyridin-2-yl-6H-pyrimido[4,5-d]pyridazin-5-one.

Molecular Properties

Compound Name2-pyridin-2-yl-6H-pyrimido[4,5-d]pyridazin-5-one
PubChem CID71224282
Molecular FormulaC11H7N5O
Molecular Weight225.21 g/mol
Exact Mass225.07
IUPAC Name2-pyridin-2-yl-6H-pyrimido[4,5-d]pyridazin-5-one
SMILESO=c1[nH]ncc2nc(-c3ccccn3)ncc12
InChIInChI=1S/C11H7N5O/c17-11-7-5-13-10(8-3-1-2-4-12-8)15-9(7)6-14-16-11/h1-6H,(H,16,17)
InChIKeyXVSJWHJUSHUBAT-UHFFFAOYSA-N
XLogP0.78
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-pyridin-2-yl-6H-pyrimido[4,5-d]pyridazin-5-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

2-thiophen-3-yl-6H-pyrimido[4,5-d]pyridazin-5-one
CID 175947397
2-amino-6H-pyrimido[4,5-d]pyridazin-5-one
CID 175953367
azane;2H-phthalazin-1-one;platinum(2+);dichloride
CID 15950509
2-pyridin-2-ylquinazolin-7-amine
CID 163221690
CID 139150015
CID 139150015
2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 24903633
4-chloro-2-pyridin-2-ylquinazoline
CID 930716
2,4,6-tripyridin-2-ylpyrimidine
CID 70005539
1-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)ethanone
CID 62771013
5-bromo-2-pyridin-2-ylpyrimidine-4-carboxylic acid
CID 82168679
4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 28811995
2,7-diphenyl-6H-pyrido[4,3-d]pyrimidin-5-one
CID 131851212

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-6H-pyrimido[4,5-d]pyridazin-5-one?
The IUPAC name of 2-pyridin-2-yl-6H-pyrimido[4,5-d]pyridazin-5-one (CID 71224282) is 2-pyridin-2-yl-6H-pyrimido[4,5-d]pyridazin-5-one.
What is the SMILES notation for 2-pyridin-2-yl-6H-pyrimido[4,5-d]pyridazin-5-one?
The canonical SMILES for 2-pyridin-2-yl-6H-pyrimido[4,5-d]pyridazin-5-one is O=c1[nH]ncc2nc(-c3ccccn3)ncc12.
What is the InChIKey of 2-pyridin-2-yl-6H-pyrimido[4,5-d]pyridazin-5-one?
The InChIKey is XVSJWHJUSHUBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5O/c17-11-7-5-13-10(8-3-1-2-4-12-8)15-9(7)6-14-16-11/h1-6H,(H,16,17).
What are the key properties of 2-pyridin-2-yl-6H-pyrimido[4,5-d]pyridazin-5-one?
2-pyridin-2-yl-6H-pyrimido[4,5-d]pyridazin-5-one has a molecular weight of 225.21 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-6H-pyrimido[4,5-d]pyridazin-5-one is sourced from PubChem (CID 71224282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).