4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one

C14H22ClN3O2 — CID 114440175

IUPAC4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one
SMILESCC1(C)CCCCC1Nc1cnn(CCO)c(=O)c1Cl
InChIInChI=1S/C14H22ClN3O2/c1-14(2)6-4-3-5-11(14)17-10-9-16-18(7-8-19)13(20)12(10)15/h9,11,17,19H,3-8H2,1-2H3
InChIKeyULHYLFFKABTNKI-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.27
Rot. Bonds4

About 4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one

4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one (PubChem CID 114440175) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one
PubChem CID114440175
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one
SMILESCC1(C)CCCCC1Nc1cnn(CCO)c(=O)c1Cl
InChIInChI=1S/C14H22ClN3O2/c1-14(2)6-4-3-5-11(14)17-10-9-16-18(7-8-19)13(20)12(10)15/h9,11,17,19H,3-8H2,1-2H3
InChIKeyULHYLFFKABTNKI-UHFFFAOYSA-N
XLogP2.27
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115693522
4-bromo-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114440166
2-butyl-4-chloro-5-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one
CID 114440133
4-chloro-2-(2-hydroxyethyl)-5-[(1-methylcyclopropyl)amino]pyridazin-3-one
CID 114442535
4-chloro-2-(2-hydroxyethyl)-5-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazin-3-one
CID 106362266
4-chloro-2-(2-hydroxyethyl)-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114439006
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2,2-dimethylcyclopropyl)amino]pyridazin-3-one
CID 114436613
4-bromo-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114440168
4-chloro-5-[(3-hydroxycyclobutyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439735
4-chloro-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114436048
4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 114431361
4-chloro-5-(2-cyclohexylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114434041

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one (CID 114440175) is 4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one is CC1(C)CCCCC1Nc1cnn(CCO)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one?
The InChIKey is ULHYLFFKABTNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-14(2)6-4-3-5-11(14)17-10-9-16-18(7-8-19)13(20)12(10)15/h9,11,17,19H,3-8H2,1-2H3.
What are the key properties of 4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one?
4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one has a molecular weight of 299.80 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one is sourced from PubChem (CID 114440175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).