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

C16H27N3O2 — CID 114397134

IUPAC2-(2-cyclohexyl-2-hydroxyethyl)-5-(diethylamino)pyridazin-3-one
SMILESCCN(CC)c1cnn(CC(O)C2CCCCC2)c(=O)c1
InChIInChI=1S/C16H27N3O2/c1-3-18(4-2)14-10-16(21)19(17-11-14)12-15(20)13-8-6-5-7-9-13/h10-11,13,15,20H,3-9,12H2,1-2H3
InChIKeyJTVPSSOQEYFFCU-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.03
Rot. Bonds6

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

2-(2-cyclohexyl-2-hydroxyethyl)-5-(diethylamino)pyridazin-3-one (PubChem CID 114397134) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(2-cyclohexyl-2-hydroxyethyl)-5-(diethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-cyclohexyl-2-hydroxyethyl)-5-(diethylamino)pyridazin-3-one
PubChem CID114397134
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-(2-cyclohexyl-2-hydroxyethyl)-5-(diethylamino)pyridazin-3-one
SMILESCCN(CC)c1cnn(CC(O)C2CCCCC2)c(=O)c1
InChIInChI=1S/C16H27N3O2/c1-3-18(4-2)14-10-16(21)19(17-11-14)12-15(20)13-8-6-5-7-9-13/h10-11,13,15,20H,3-9,12H2,1-2H3
InChIKeyJTVPSSOQEYFFCU-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyclopropyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one
CID 114397069
2-[2-(cyclopentylmethylamino)ethyl]-5-(diethylamino)pyridazin-3-one
CID 114397665
2-(2-cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397054
5-(diethylamino)-2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyridazin-3-one
CID 114394996
2-(3-bromo-2-methylpropyl)-5-(diethylamino)pyridazin-3-one
CID 114394374
2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one
CID 114394906
5-(diethylamino)-2-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridazin-3-one
CID 114395471
2-[4-(diethylamino)-6-oxopyridazin-1-yl]acetonitrile
CID 114395707
2-[2-(bromomethyl)pentyl]-5-(diethylamino)pyridazin-3-one
CID 114394356
5-(diethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one
CID 102735288
5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one
CID 114399061
5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one
CID 114397688

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-2-hydroxyethyl)-5-(diethylamino)pyridazin-3-one?
The IUPAC name of 2-(2-cyclohexyl-2-hydroxyethyl)-5-(diethylamino)pyridazin-3-one (CID 114397134) is 2-(2-cyclohexyl-2-hydroxyethyl)-5-(diethylamino)pyridazin-3-one.
What is the SMILES notation for 2-(2-cyclohexyl-2-hydroxyethyl)-5-(diethylamino)pyridazin-3-one?
The canonical SMILES for 2-(2-cyclohexyl-2-hydroxyethyl)-5-(diethylamino)pyridazin-3-one is CCN(CC)c1cnn(CC(O)C2CCCCC2)c(=O)c1.
What is the InChIKey of 2-(2-cyclohexyl-2-hydroxyethyl)-5-(diethylamino)pyridazin-3-one?
The InChIKey is JTVPSSOQEYFFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-18(4-2)14-10-16(21)19(17-11-14)12-15(20)13-8-6-5-7-9-13/h10-11,13,15,20H,3-9,12H2,1-2H3.
What are the key properties of 2-(2-cyclohexyl-2-hydroxyethyl)-5-(diethylamino)pyridazin-3-one?
2-(2-cyclohexyl-2-hydroxyethyl)-5-(diethylamino)pyridazin-3-one has a molecular weight of 293.41 g/mol, XLogP of 2.03, 6 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-(diethylamino)pyridazin-3-one is sourced from PubChem (CID 114397134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).