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

C15H22ClN3O2 — CID 114437002

IUPAC5-chloro-2-(cyclobutylmethyl)-4-[(2-hydroxycyclohexyl)amino]pyridazin-3-one
SMILESO=c1c(NC2CCCCC2O)c(Cl)cnn1CC1CCC1
InChIInChI=1S/C15H22ClN3O2/c16-11-8-17-19(9-10-4-3-5-10)15(21)14(11)18-12-6-1-2-7-13(12)20/h8,10,12-13,18,20H,1-7,9H2
InChIKeyBPSOMUHVTOJGRZ-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.41
Rot. Bonds4

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

5-chloro-2-(cyclobutylmethyl)-4-[(2-hydroxycyclohexyl)amino]pyridazin-3-one (PubChem CID 114437002) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 5-chloro-2-(cyclobutylmethyl)-4-[(2-hydroxycyclohexyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclobutylmethyl)-4-[(2-hydroxycyclohexyl)amino]pyridazin-3-one
PubChem CID114437002
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name5-chloro-2-(cyclobutylmethyl)-4-[(2-hydroxycyclohexyl)amino]pyridazin-3-one
SMILESO=c1c(NC2CCCCC2O)c(Cl)cnn1CC1CCC1
InChIInChI=1S/C15H22ClN3O2/c16-11-8-17-19(9-10-4-3-5-10)15(21)14(11)18-12-6-1-2-7-13(12)20/h8,10,12-13,18,20H,1-7,9H2
InChIKeyBPSOMUHVTOJGRZ-UHFFFAOYSA-N
XLogP2.41
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-[(2-hydroxycyclohexyl)amino]pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-[(2-hydroxycyclohexyl)amino]pyridazin-3-one (CID 114437002) is 5-chloro-2-(cyclobutylmethyl)-4-[(2-hydroxycyclohexyl)amino]pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclobutylmethyl)-4-[(2-hydroxycyclohexyl)amino]pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclobutylmethyl)-4-[(2-hydroxycyclohexyl)amino]pyridazin-3-one is O=c1c(NC2CCCCC2O)c(Cl)cnn1CC1CCC1.
What is the InChIKey of 5-chloro-2-(cyclobutylmethyl)-4-[(2-hydroxycyclohexyl)amino]pyridazin-3-one?
The InChIKey is BPSOMUHVTOJGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c16-11-8-17-19(9-10-4-3-5-10)15(21)14(11)18-12-6-1-2-7-13(12)20/h8,10,12-13,18,20H,1-7,9H2.
What are the key properties of 5-chloro-2-(cyclobutylmethyl)-4-[(2-hydroxycyclohexyl)amino]pyridazin-3-one?
5-chloro-2-(cyclobutylmethyl)-4-[(2-hydroxycyclohexyl)amino]pyridazin-3-one has a molecular weight of 311.81 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclobutylmethyl)-4-[(2-hydroxycyclohexyl)amino]pyridazin-3-one is sourced from PubChem (CID 114437002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).