2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one

C15H24ClN3O2 — CID 106136841

IUPAC2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one
SMILESCCCCn1ncc(NCC2CCC(O)CC2)c(Cl)c1=O
InChIInChI=1S/C15H24ClN3O2/c1-2-3-8-19-15(21)14(16)13(10-18-19)17-9-11-4-6-12(20)7-5-11/h10-12,17,20H,2-9H2,1H3
InChIKeyQCBJRVVMLAGARD-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.66
Rot. Bonds6

About 2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one

2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one (PubChem CID 106136841) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one
PubChem CID106136841
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one
SMILESCCCCn1ncc(NCC2CCC(O)CC2)c(Cl)c1=O
InChIInChI=1S/C15H24ClN3O2/c1-2-3-8-19-15(21)14(16)13(10-18-19)17-9-11-4-6-12(20)7-5-11/h10-12,17,20H,2-9H2,1H3
InChIKeyQCBJRVVMLAGARD-UHFFFAOYSA-N
XLogP2.66
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]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-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one
CID 114433066
4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
CID 114437685
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-hydroxycyclopentyl)methylamino]pyridazin-3-one
CID 106136666
2-butyl-4-chloro-5-(oxan-2-ylmethylamino)pyridazin-3-one
CID 114436083
4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114436229
2-butyl-4-chloro-5-[(3-hydroxycyclobutyl)amino]pyridazin-3-one
CID 114439715
4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114436233
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-cyclopropylacetamide
CID 114433679
4-chloro-5-[(3-hydroxycyclobutyl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439761
4-chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one
CID 103269750

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one?
The IUPAC name of 2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one (CID 106136841) is 2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one.
What is the SMILES notation for 2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one?
The canonical SMILES for 2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one is CCCCn1ncc(NCC2CCC(O)CC2)c(Cl)c1=O.
What is the InChIKey of 2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one?
The InChIKey is QCBJRVVMLAGARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2/c1-2-3-8-19-15(21)14(16)13(10-18-19)17-9-11-4-6-12(20)7-5-11/h10-12,17,20H,2-9H2,1H3.
What are the key properties of 2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one?
2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one has a molecular weight of 313.83 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one is sourced from PubChem (CID 106136841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).