4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one

C15H25ClN4O — CID 114436229

IUPAC4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC2CCN(CC)CC2)c(Cl)c1=O
InChIInChI=1S/C15H25ClN4O/c1-3-7-20-15(21)14(16)13(11-18-20)17-10-12-5-8-19(4-2)9-6-12/h11-12,17H,3-10H2,1-2H3
InChIKeyOFDYSXDWZZRLOU-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.45
Rot. Bonds6

About 4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one

4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one (PubChem CID 114436229) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one
PubChem CID114436229
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC2CCN(CC)CC2)c(Cl)c1=O
InChIInChI=1S/C15H25ClN4O/c1-3-7-20-15(21)14(16)13(11-18-20)17-10-12-5-8-19(4-2)9-6-12/h11-12,17H,3-10H2,1-2H3
InChIKeyOFDYSXDWZZRLOU-UHFFFAOYSA-N
XLogP2.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-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-5-[(1-ethylpiperidin-4-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114436233
4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
CID 114437685
4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 114436226
2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one
CID 114433066
4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one
CID 114446541
2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one
CID 106136841
4-chloro-5-[(5-oxopyrrolidin-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114438693
4-chloro-5-[(2,2-dimethylcyclopropyl)methylamino]-2-propylpyridazin-3-one
CID 114108582
4-chloro-2-ethyl-5-[(1-ethylpiperidin-4-yl)amino]pyridazin-3-one
CID 114434740
4-chloro-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one
CID 114444318
4-bromo-5-[(1-ethylpiperidin-4-yl)methylamino]-2-prop-2-ynylpyridazin-3-one
CID 114436224
4-chloro-5-[(3-hydroxycyclobutyl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439761

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one (CID 114436229) is 4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one is CCCn1ncc(NCC2CCN(CC)CC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one?
The InChIKey is OFDYSXDWZZRLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-3-7-20-15(21)14(16)13(11-18-20)17-10-12-5-8-19(4-2)9-6-12/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one?
4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one has a molecular weight of 312.85 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one is sourced from PubChem (CID 114436229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).