3-(2-hydroxydodecyl)-4,5-dihydro-1H-pyridazin-6-one

C16H30N2O2 — CID 14616500

IUPAC3-(2-hydroxydodecyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCCCCCCCCCCC(O)CC1=NNC(=O)CC1
InChIInChI=1S/C16H30N2O2/c1-2-3-4-5-6-7-8-9-10-15(19)13-14-11-12-16(20)18-17-14/h15,19H,2-13H2,1H3,(H,18,20)
InChIKeySSUFOAXDAYLJRD-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.53
Rot. Bonds11

About 3-(2-hydroxydodecyl)-4,5-dihydro-1H-pyridazin-6-one

3-(2-hydroxydodecyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 14616500) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-(2-hydroxydodecyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2-hydroxydodecyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID14616500
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-(2-hydroxydodecyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCCCCCCCCCCC(O)CC1=NNC(=O)CC1
InChIInChI=1S/C16H30N2O2/c1-2-3-4-5-6-7-8-9-10-15(19)13-14-11-12-16(20)18-17-14/h15,19H,2-13H2,1H3,(H,18,20)
InChIKeySSUFOAXDAYLJRD-UHFFFAOYSA-N
XLogP3.53
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-heptan-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43398155
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
1-fluorotridecan-2-ol
CID 139710681
(5S)-octadecan-5-ol
CID 98231191
icosane-5,11-diol
CID 170722582

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxydodecyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(2-hydroxydodecyl)-4,5-dihydro-1H-pyridazin-6-one (CID 14616500) is 3-(2-hydroxydodecyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2-hydroxydodecyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(2-hydroxydodecyl)-4,5-dihydro-1H-pyridazin-6-one is CCCCCCCCCCC(O)CC1=NNC(=O)CC1.
What is the InChIKey of 3-(2-hydroxydodecyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is SSUFOAXDAYLJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-2-3-4-5-6-7-8-9-10-15(19)13-14-11-12-16(20)18-17-14/h15,19H,2-13H2,1H3,(H,18,20).
What are the key properties of 3-(2-hydroxydodecyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(2-hydroxydodecyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 282.43 g/mol, XLogP of 3.53, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxydodecyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 14616500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).