2-(2-cyclohexylethyl)-5-(methylamino)pyridazin-3-one

C13H21N3O — CID 114193602

IUPAC2-(2-cyclohexylethyl)-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(CCC2CCCCC2)c(=O)c1
InChIInChI=1S/C13H21N3O/c1-14-12-9-13(17)16(15-10-12)8-7-11-5-3-2-4-6-11/h9-11,14H,2-8H2,1H3
InChIKeyTWOHYRXLWXVSEO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.26
Rot. Bonds4

About 2-(2-cyclohexylethyl)-5-(methylamino)pyridazin-3-one

2-(2-cyclohexylethyl)-5-(methylamino)pyridazin-3-one (PubChem CID 114193602) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-5-(methylamino)pyridazin-3-one
PubChem CID114193602
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(2-cyclohexylethyl)-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(CCC2CCCCC2)c(=O)c1
InChIInChI=1S/C13H21N3O/c1-14-12-9-13(17)16(15-10-12)8-7-11-5-3-2-4-6-11/h9-11,14H,2-8H2,1H3
InChIKeyTWOHYRXLWXVSEO-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethyl)-5-(methylamino)pyridazin-3-one?
The IUPAC name of 2-(2-cyclohexylethyl)-5-(methylamino)pyridazin-3-one (CID 114193602) is 2-(2-cyclohexylethyl)-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 2-(2-cyclohexylethyl)-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 2-(2-cyclohexylethyl)-5-(methylamino)pyridazin-3-one is CNc1cnn(CCC2CCCCC2)c(=O)c1.
What is the InChIKey of 2-(2-cyclohexylethyl)-5-(methylamino)pyridazin-3-one?
The InChIKey is TWOHYRXLWXVSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-14-12-9-13(17)16(15-10-12)8-7-11-5-3-2-4-6-11/h9-11,14H,2-8H2,1H3.
What are the key properties of 2-(2-cyclohexylethyl)-5-(methylamino)pyridazin-3-one?
2-(2-cyclohexylethyl)-5-(methylamino)pyridazin-3-one has a molecular weight of 235.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethyl)-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 114193602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).