2-(cyclohexylmethyl)-6-(dimethylamino)pyridazin-3-one

C13H21N3O — CID 126857376

IUPAC2-(cyclohexylmethyl)-6-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1ccc(=O)n(CC2CCCCC2)n1
InChIInChI=1S/C13H21N3O/c1-15(2)12-8-9-13(17)16(14-12)10-11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3
InChIKeySCBPMTVXUXTJRF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.89
Rot. Bonds3

About 2-(cyclohexylmethyl)-6-(dimethylamino)pyridazin-3-one

2-(cyclohexylmethyl)-6-(dimethylamino)pyridazin-3-one (PubChem CID 126857376) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-6-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-6-(dimethylamino)pyridazin-3-one
PubChem CID126857376
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(cyclohexylmethyl)-6-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1ccc(=O)n(CC2CCCCC2)n1
InChIInChI=1S/C13H21N3O/c1-15(2)12-8-9-13(17)16(14-12)10-11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3
InChIKeySCBPMTVXUXTJRF-UHFFFAOYSA-N
XLogP1.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-6-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-(cyclohexylmethyl)-6-(dimethylamino)pyridazin-3-one (CID 126857376) is 2-(cyclohexylmethyl)-6-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-(cyclohexylmethyl)-6-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-(cyclohexylmethyl)-6-(dimethylamino)pyridazin-3-one is CN(C)c1ccc(=O)n(CC2CCCCC2)n1.
What is the InChIKey of 2-(cyclohexylmethyl)-6-(dimethylamino)pyridazin-3-one?
The InChIKey is SCBPMTVXUXTJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15(2)12-8-9-13(17)16(14-12)10-11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3.
What are the key properties of 2-(cyclohexylmethyl)-6-(dimethylamino)pyridazin-3-one?
2-(cyclohexylmethyl)-6-(dimethylamino)pyridazin-3-one has a molecular weight of 235.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-6-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 126857376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).