4-chloro-2-methyl-5-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one

C13H15ClN6O — CID 171998786

IUPAC4-chloro-2-methyl-5-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one
SMILESCn1ncc(N2CCN(c3ccncn3)CC2)c(Cl)c1=O
InChIInChI=1S/C13H15ClN6O/c1-18-13(21)12(14)10(8-17-18)19-4-6-20(7-5-19)11-2-3-15-9-16-11/h2-3,8-9H,4-7H2,1H3
InChIKeyBRPZIHRJYSNXSO-UHFFFAOYSA-N
MW306.76 g/mol
LogP0.55
Rot. Bonds2

About 4-chloro-2-methyl-5-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one

4-chloro-2-methyl-5-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one (PubChem CID 171998786) has the molecular formula C13H15ClN6O and a molecular weight of 306.76 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one
PubChem CID171998786
Molecular FormulaC13H15ClN6O
Molecular Weight306.76 g/mol
Exact Mass306.10
IUPAC Name4-chloro-2-methyl-5-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one
SMILESCn1ncc(N2CCN(c3ccncn3)CC2)c(Cl)c1=O
InChIInChI=1S/C13H15ClN6O/c1-18-13(21)12(14)10(8-17-18)19-4-6-20(7-5-19)11-2-3-15-9-16-11/h2-3,8-9H,4-7H2,1H3
InChIKeyBRPZIHRJYSNXSO-UHFFFAOYSA-N
XLogP0.55
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-chloro-2-methyl-5-(4-pyrimidin-4-ylpiperazin-1-yl)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

4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 17088020
4-chloro-5-[4-(2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 171998702
4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 71861488
4-chloro-2-methyl-5-[4-[2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]pyridazin-3-one
CID 174250402
4-chloro-2-methyl-5-(4-propyl-1,4-diazepan-1-yl)pyridazin-3-one
CID 133314325
4-chloro-5-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 47281084
4-chloro-2-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyridazin-3-one
CID 71995967
4-chloro-2-methyl-5-[3-(phenoxymethyl)piperidin-1-yl]pyridazin-3-one
CID 133308219
5-[(3S)-3-anilinopiperidin-1-yl]-4-chloro-2-methylpyridazin-3-one
CID 97226291
4-chloro-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-one
CID 33286693
4-chloro-5-[4-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 172904721
5-[6-(2-tert-butylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-4-chloro-2-methylpyridazin-3-one
CID 172904879

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one (CID 171998786) is 4-chloro-2-methyl-5-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one is Cn1ncc(N2CCN(c3ccncn3)CC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is BRPZIHRJYSNXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6O/c1-18-13(21)12(14)10(8-17-18)19-4-6-20(7-5-19)11-2-3-15-9-16-11/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 4-chloro-2-methyl-5-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one?
4-chloro-2-methyl-5-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 306.76 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 171998786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).