4-chloro-2-(2-hydroxyethyl)-5-(3-piperazin-1-ylazetidin-1-yl)pyridazin-3-one

C13H20ClN5O2 — CID 114446079

IUPAC4-chloro-2-(2-hydroxyethyl)-5-(3-piperazin-1-ylazetidin-1-yl)pyridazin-3-one
SMILESO=c1c(Cl)c(N2CC(N3CCNCC3)C2)cnn1CCO
InChIInChI=1S/C13H20ClN5O2/c14-12-11(7-16-19(5-6-20)13(12)21)18-8-10(9-18)17-3-1-15-2-4-17/h7,10,15,20H,1-6,8-9H2
InChIKeyRWTWHSBJUMDCEV-UHFFFAOYSA-N
MW313.79 g/mol
LogP-1.02
Rot. Bonds4

About 4-chloro-2-(2-hydroxyethyl)-5-(3-piperazin-1-ylazetidin-1-yl)pyridazin-3-one

4-chloro-2-(2-hydroxyethyl)-5-(3-piperazin-1-ylazetidin-1-yl)pyridazin-3-one (PubChem CID 114446079) has the molecular formula C13H20ClN5O2 and a molecular weight of 313.79 g/mol. Its IUPAC name is 4-chloro-2-(2-hydroxyethyl)-5-(3-piperazin-1-ylazetidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-hydroxyethyl)-5-(3-piperazin-1-ylazetidin-1-yl)pyridazin-3-one
PubChem CID114446079
Molecular FormulaC13H20ClN5O2
Molecular Weight313.79 g/mol
Exact Mass313.13
IUPAC Name4-chloro-2-(2-hydroxyethyl)-5-(3-piperazin-1-ylazetidin-1-yl)pyridazin-3-one
SMILESO=c1c(Cl)c(N2CC(N3CCNCC3)C2)cnn1CCO
InChIInChI=1S/C13H20ClN5O2/c14-12-11(7-16-19(5-6-20)13(12)21)18-8-10(9-18)17-3-1-15-2-4-17/h7,10,15,20H,1-6,8-9H2
InChIKeyRWTWHSBJUMDCEV-UHFFFAOYSA-N
XLogP-1.02
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-2-(2-hydroxyethyl)-5-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridazin-3-one
CID 114443685
2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one
CID 114445759
5-(3-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one
CID 114445742
4-bromo-5-(3,5-dimethylpiperazin-1-yl)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114445229
4-bromo-2-(2-hydroxyethyl)-5-(3-methylpiperazin-1-yl)pyridazin-3-one
CID 114445774
4-chloro-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one
CID 114444318
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-chloro-2-(2-methoxyethyl)pyridazin-3-one
CID 114446133
1-(1-butyl-5-chloro-6-oxopyridazin-4-yl)piperazine-2-carboxylic acid
CID 114445817
4-chloro-5-(1,4-diazepan-1-yl)-2-(2-methylpropyl)pyridazin-3-one
CID 114430967
4-chloro-5-[(3R)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyridazin-3-one
CID 104976171
4-chloro-5-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 129352579
2-chloro-6-(3-piperazin-1-ylazetidin-1-yl)pyrazine
CID 116650875

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-(3-piperazin-1-ylazetidin-1-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-(3-piperazin-1-ylazetidin-1-yl)pyridazin-3-one (CID 114446079) is 4-chloro-2-(2-hydroxyethyl)-5-(3-piperazin-1-ylazetidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-hydroxyethyl)-5-(3-piperazin-1-ylazetidin-1-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-hydroxyethyl)-5-(3-piperazin-1-ylazetidin-1-yl)pyridazin-3-one is O=c1c(Cl)c(N2CC(N3CCNCC3)C2)cnn1CCO.
What is the InChIKey of 4-chloro-2-(2-hydroxyethyl)-5-(3-piperazin-1-ylazetidin-1-yl)pyridazin-3-one?
The InChIKey is RWTWHSBJUMDCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O2/c14-12-11(7-16-19(5-6-20)13(12)21)18-8-10(9-18)17-3-1-15-2-4-17/h7,10,15,20H,1-6,8-9H2.
What are the key properties of 4-chloro-2-(2-hydroxyethyl)-5-(3-piperazin-1-ylazetidin-1-yl)pyridazin-3-one?
4-chloro-2-(2-hydroxyethyl)-5-(3-piperazin-1-ylazetidin-1-yl)pyridazin-3-one has a molecular weight of 313.79 g/mol, XLogP of -1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-hydroxyethyl)-5-(3-piperazin-1-ylazetidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 114446079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).