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

C13H21N3O — CID 55126873

IUPAC2-[2-[(3-methylcyclohexyl)amino]ethyl]pyridazin-3-one
SMILESCC1CCCC(NCCn2ncccc2=O)C1
InChIInChI=1S/C13H21N3O/c1-11-4-2-5-12(10-11)14-8-9-16-13(17)6-3-7-15-16/h3,6-7,11-12,14H,2,4-5,8-10H2,1H3
InChIKeyKYGWCPAAGVCKCI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.41
Rot. Bonds4

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

2-[2-[(3-methylcyclohexyl)amino]ethyl]pyridazin-3-one (PubChem CID 55126873) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[2-[(3-methylcyclohexyl)amino]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(3-methylcyclohexyl)amino]ethyl]pyridazin-3-one
PubChem CID55126873
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[2-[(3-methylcyclohexyl)amino]ethyl]pyridazin-3-one
SMILESCC1CCCC(NCCn2ncccc2=O)C1
InChIInChI=1S/C13H21N3O/c1-11-4-2-5-12(10-11)14-8-9-16-13(17)6-3-7-15-16/h3,6-7,11-12,14H,2,4-5,8-10H2,1H3
InChIKeyKYGWCPAAGVCKCI-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-[(3-methylcyclohexyl)amino]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[(3-methylcyclohexyl)amino]ethyl]pyridazin-3-one (CID 55126873) is 2-[2-[(3-methylcyclohexyl)amino]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[(3-methylcyclohexyl)amino]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[(3-methylcyclohexyl)amino]ethyl]pyridazin-3-one is CC1CCCC(NCCn2ncccc2=O)C1.
What is the InChIKey of 2-[2-[(3-methylcyclohexyl)amino]ethyl]pyridazin-3-one?
The InChIKey is KYGWCPAAGVCKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-4-2-5-12(10-11)14-8-9-16-13(17)6-3-7-15-16/h3,6-7,11-12,14H,2,4-5,8-10H2,1H3.
What are the key properties of 2-[2-[(3-methylcyclohexyl)amino]ethyl]pyridazin-3-one?
2-[2-[(3-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-[(3-methylcyclohexyl)amino]ethyl]pyridazin-3-one is sourced from PubChem (CID 55126873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).