2-[2-[(2-methylcyclohexyl)amino]ethyl]pyridazin-3-one

C13H21N3O — CID 55126876

IUPAC2-[2-[(2-methylcyclohexyl)amino]ethyl]pyridazin-3-one
SMILESCC1CCCCC1NCCn1ncccc1=O
InChIInChI=1S/C13H21N3O/c1-11-5-2-3-6-12(11)14-9-10-16-13(17)7-4-8-15-16/h4,7-8,11-12,14H,2-3,5-6,9-10H2,1H3
InChIKeyIWOFIEVRCVQCGH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.41
Rot. Bonds4

About 2-[2-[(2-methylcyclohexyl)amino]ethyl]pyridazin-3-one

2-[2-[(2-methylcyclohexyl)amino]ethyl]pyridazin-3-one (PubChem CID 55126876) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[2-[(2-methylcyclohexyl)amino]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(2-methylcyclohexyl)amino]ethyl]pyridazin-3-one
PubChem CID55126876
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[2-[(2-methylcyclohexyl)amino]ethyl]pyridazin-3-one
SMILESCC1CCCCC1NCCn1ncccc1=O
InChIInChI=1S/C13H21N3O/c1-11-5-2-3-6-12(11)14-9-10-16-13(17)7-4-8-15-16/h4,7-8,11-12,14H,2-3,5-6,9-10H2,1H3
InChIKeyIWOFIEVRCVQCGH-UHFFFAOYSA-N
XLogP1.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylcyclohexyl)amino]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[(2-methylcyclohexyl)amino]ethyl]pyridazin-3-one (CID 55126876) is 2-[2-[(2-methylcyclohexyl)amino]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[(2-methylcyclohexyl)amino]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[(2-methylcyclohexyl)amino]ethyl]pyridazin-3-one is CC1CCCCC1NCCn1ncccc1=O.
What is the InChIKey of 2-[2-[(2-methylcyclohexyl)amino]ethyl]pyridazin-3-one?
The InChIKey is IWOFIEVRCVQCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-5-2-3-6-12(11)14-9-10-16-13(17)7-4-8-15-16/h4,7-8,11-12,14H,2-3,5-6,9-10H2,1H3.
What are the key properties of 2-[2-[(2-methylcyclohexyl)amino]ethyl]pyridazin-3-one?
2-[2-[(2-methylcyclohexyl)amino]ethyl]pyridazin-3-one has a molecular weight of 235.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylcyclohexyl)amino]ethyl]pyridazin-3-one is sourced from PubChem (CID 55126876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).