2-(2-cyclohexyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one

C14H23N3O2 — CID 114397065

IUPAC2-(2-cyclohexyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CC(O)C2CCCCC2)c(=O)c1
InChIInChI=1S/C14H23N3O2/c1-16(2)12-8-14(19)17(15-9-12)10-13(18)11-6-4-3-5-7-11/h8-9,11,13,18H,3-7,10H2,1-2H3
InChIKeyAQJLTYBDOPZIKC-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.25
Rot. Bonds4

About 2-(2-cyclohexyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one

2-(2-cyclohexyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one (PubChem CID 114397065) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(2-cyclohexyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-cyclohexyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one
PubChem CID114397065
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(2-cyclohexyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CC(O)C2CCCCC2)c(=O)c1
InChIInChI=1S/C14H23N3O2/c1-16(2)12-8-14(19)17(15-9-12)10-13(18)11-6-4-3-5-7-11/h8-9,11,13,18H,3-7,10H2,1-2H3
InChIKeyAQJLTYBDOPZIKC-UHFFFAOYSA-N
XLogP1.25
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-(2-cyclohexyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one (CID 114397065) is 2-(2-cyclohexyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-(2-cyclohexyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-(2-cyclohexyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one is CN(C)c1cnn(CC(O)C2CCCCC2)c(=O)c1.
What is the InChIKey of 2-(2-cyclohexyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one?
The InChIKey is AQJLTYBDOPZIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16(2)12-8-14(19)17(15-9-12)10-13(18)11-6-4-3-5-7-11/h8-9,11,13,18H,3-7,10H2,1-2H3.
What are the key properties of 2-(2-cyclohexyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one?
2-(2-cyclohexyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one has a molecular weight of 265.36 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 114397065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).