4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one

C13H10N4O — CID 10799933

IUPAC4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one
SMILESO=c1[nH]nc(Cc2ccncc2)c2cnccc12
InChIInChI=1S/C13H10N4O/c18-13-10-3-6-15-8-11(10)12(16-17-13)7-9-1-4-14-5-2-9/h1-6,8H,7H2,(H,17,18)
InChIKeyOCGINFQZBOVZBZ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.30
Rot. Bonds2

About 4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one

4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one (PubChem CID 10799933) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one.

Molecular Properties

Compound Name4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one
PubChem CID10799933
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one
SMILESO=c1[nH]nc(Cc2ccncc2)c2cnccc12
InChIInChI=1S/C13H10N4O/c18-13-10-3-6-15-8-11(10)12(16-17-13)7-9-1-4-14-5-2-9/h1-6,8H,7H2,(H,17,18)
InChIKeyOCGINFQZBOVZBZ-UHFFFAOYSA-N
XLogP1.30
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(pyridin-4-ylmethyl)-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

Related Compounds

4-benzyl-6-pyridin-3-yl-2H-phthalazin-1-one
CID 54588295
N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)oxamide
CID 18567098
1-(2-hydroxyethylamino)-3H-pyrido[3,4-d]pyridazin-4-one
CID 13033105
4-(2-pyridin-3-ylpropyl)-2H-phthalazin-1-one
CID 22386478
N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 27568019
4-[[4-[methyl(sulfamoyl)amino]phenyl]methyl]-1-oxo-2H-phthalazine
CID 157040103
4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one
CID 82371112
4-[[5-[3-methyl-3-(methylamino)-2-oxoindol-1-yl]-3-pyridinyl]methyl]-2H-phthalazin-1-one
CID 163274515
1-[1-[(3-methylphenyl)methyl]-4-oxo-3H-phthalazin-6-yl]-3-pyridin-3-ylurea
CID 69152090
2H-pyrido[3,4-d]pyridazin-1-one
CID 10909714
4-benzyl-7-benzylsulfanyl-2H-phthalazin-1-one
CID 121398729
2-(4,5-dichloro-6-oxo-1H-pyridazin-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 91403681

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one?
The IUPAC name of 4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one (CID 10799933) is 4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one.
What is the SMILES notation for 4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one?
The canonical SMILES for 4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one is O=c1[nH]nc(Cc2ccncc2)c2cnccc12.
What is the InChIKey of 4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one?
The InChIKey is OCGINFQZBOVZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c18-13-10-3-6-15-8-11(10)12(16-17-13)7-9-1-4-14-5-2-9/h1-6,8H,7H2,(H,17,18).
What are the key properties of 4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one?
4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one has a molecular weight of 238.25 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one is sourced from PubChem (CID 10799933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).