4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one

C15H24ClN3O — CID 114437685

IUPAC4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC2CCC(C)CC2)c(Cl)c1=O
InChIInChI=1S/C15H24ClN3O/c1-3-8-19-15(20)14(16)13(10-18-19)17-9-12-6-4-11(2)5-7-12/h10-12,17H,3-9H2,1-2H3
InChIKeyDZQHEDVNPFPKDI-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.54
Rot. Bonds5

About 4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one

4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one (PubChem CID 114437685) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
PubChem CID114437685
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC2CCC(C)CC2)c(Cl)c1=O
InChIInChI=1S/C15H24ClN3O/c1-3-8-19-15(20)14(16)13(10-18-19)17-9-12-6-4-11(2)5-7-12/h10-12,17H,3-9H2,1-2H3
InChIKeyDZQHEDVNPFPKDI-UHFFFAOYSA-N
XLogP3.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114436229
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-5-[(1-ethylpiperidin-4-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114436233
methyl 2-[5-chloro-4-[(3-methylcyclopentyl)methylamino]-6-oxopyridazin-1-yl]acetate
CID 107413789
4-bromo-5-[(3-methylcyclopentyl)methylamino]-2-propylpyridazin-3-one
CID 107414035
4-chloro-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one
CID 114444318
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-hydroxycyclopentyl)methylamino]pyridazin-3-one
CID 106136666
4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 114436226

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one (CID 114437685) is 4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one is CCCn1ncc(NCC2CCC(C)CC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one?
The InChIKey is DZQHEDVNPFPKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-3-8-19-15(20)14(16)13(10-18-19)17-9-12-6-4-11(2)5-7-12/h10-12,17H,3-9H2,1-2H3.
What are the key properties of 4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one?
4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one has a molecular weight of 297.83 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one is sourced from PubChem (CID 114437685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).