2-[(1-pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one

C13H15N5O — CID 126923329

IUPAC2-[(1-pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CCCN1c1ccncn1
InChIInChI=1S/C13H15N5O/c19-13-4-1-6-16-18(13)9-11-3-2-8-17(11)12-5-7-14-10-15-12/h1,4-7,10-11H,2-3,8-9H2
InChIKeyIGTIYEPFKUDUGQ-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.70
Rot. Bonds3

About 2-[(1-pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one

2-[(1-pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one (PubChem CID 126923329) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-[(1-pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(1-pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
PubChem CID126923329
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-[(1-pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CCCN1c1ccncn1
InChIInChI=1S/C13H15N5O/c19-13-4-1-6-16-18(13)9-11-3-2-8-17(11)12-5-7-14-10-15-12/h1,4-7,10-11H,2-3,8-9H2
InChIKeyIGTIYEPFKUDUGQ-UHFFFAOYSA-N
XLogP0.70
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(1-pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-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-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126923152
2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923364
4-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 173471259
2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923353
2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923210
2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923176
2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923368
4-[2-(2-chloroethyl)piperidin-1-yl]pyrimidine
CID 63391999
2-(cyclopropylmethyl)pyridazin-3-one
CID 72682825
2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923128
2-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923308
2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923085

Frequently Asked Questions

What is the IUPAC name of 2-[(1-pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 2-[(1-pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one (CID 126923329) is 2-[(1-pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 2-[(1-pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 2-[(1-pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one is O=c1cccnn1CC1CCCN1c1ccncn1.
What is the InChIKey of 2-[(1-pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one?
The InChIKey is IGTIYEPFKUDUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c19-13-4-1-6-16-18(13)9-11-3-2-8-17(11)12-5-7-14-10-15-12/h1,4-7,10-11H,2-3,8-9H2.
What are the key properties of 2-[(1-pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one?
2-[(1-pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one has a molecular weight of 257.30 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 126923329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).