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

C14H22ClN3O2 — CID 49225578

IUPAC2-tert-butyl-4-chloro-5-[(4-hydroxycyclohexyl)amino]pyridazin-3-one
SMILESCC(C)(C)n1ncc(NC2CCC(O)CC2)c(Cl)c1=O
InChIInChI=1S/C14H22ClN3O2/c1-14(2,3)18-13(20)12(15)11(8-16-18)17-9-4-6-10(19)7-5-9/h8-10,17,19H,4-7H2,1-3H3
InChIKeyFZIWOKDBVDYAOY-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.37
Rot. Bonds2

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

2-tert-butyl-4-chloro-5-[(4-hydroxycyclohexyl)amino]pyridazin-3-one (PubChem CID 49225578) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5-[(4-hydroxycyclohexyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5-[(4-hydroxycyclohexyl)amino]pyridazin-3-one
PubChem CID49225578
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name2-tert-butyl-4-chloro-5-[(4-hydroxycyclohexyl)amino]pyridazin-3-one
SMILESCC(C)(C)n1ncc(NC2CCC(O)CC2)c(Cl)c1=O
InChIInChI=1S/C14H22ClN3O2/c1-14(2,3)18-13(20)12(15)11(8-16-18)17-9-4-6-10(19)7-5-9/h8-10,17,19H,4-7H2,1-3H3
InChIKeyFZIWOKDBVDYAOY-UHFFFAOYSA-N
XLogP2.37
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-4-chloro-5-[(4-hydroxycyclohexyl)amino]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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5-[(4-hydroxycyclohexyl)amino]pyridazin-3-one?
The IUPAC name of 2-tert-butyl-4-chloro-5-[(4-hydroxycyclohexyl)amino]pyridazin-3-one (CID 49225578) is 2-tert-butyl-4-chloro-5-[(4-hydroxycyclohexyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-4-chloro-5-[(4-hydroxycyclohexyl)amino]pyridazin-3-one?
The canonical SMILES for 2-tert-butyl-4-chloro-5-[(4-hydroxycyclohexyl)amino]pyridazin-3-one is CC(C)(C)n1ncc(NC2CCC(O)CC2)c(Cl)c1=O.
What is the InChIKey of 2-tert-butyl-4-chloro-5-[(4-hydroxycyclohexyl)amino]pyridazin-3-one?
The InChIKey is FZIWOKDBVDYAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-14(2,3)18-13(20)12(15)11(8-16-18)17-9-4-6-10(19)7-5-9/h8-10,17,19H,4-7H2,1-3H3.
What are the key properties of 2-tert-butyl-4-chloro-5-[(4-hydroxycyclohexyl)amino]pyridazin-3-one?
2-tert-butyl-4-chloro-5-[(4-hydroxycyclohexyl)amino]pyridazin-3-one has a molecular weight of 299.80 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-5-[(4-hydroxycyclohexyl)amino]pyridazin-3-one is sourced from PubChem (CID 49225578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).