2-hexan-2-ylpyridazin-3-one

C10H16N2O — CID 165135892

IUPAC2-hexan-2-ylpyridazin-3-one
SMILESCCCCC(C)n1ncccc1=O
InChIInChI=1S/C10H16N2O/c1-3-4-6-9(2)12-10(13)7-5-8-11-12/h5,7-9H,3-4,6H2,1-2H3
InChIKeyJZBJQFDMUFXKBB-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.99
Rot. Bonds4

About 2-hexan-2-ylpyridazin-3-one

2-hexan-2-ylpyridazin-3-one (PubChem CID 165135892) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-hexan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-hexan-2-ylpyridazin-3-one
PubChem CID165135892
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-hexan-2-ylpyridazin-3-one
SMILESCCCCC(C)n1ncccc1=O
InChIInChI=1S/C10H16N2O/c1-3-4-6-9(2)12-10(13)7-5-8-11-12/h5,7-9H,3-4,6H2,1-2H3
InChIKeyJZBJQFDMUFXKBB-UHFFFAOYSA-N
XLogP1.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,4-Difluorocyclohexyl)pyridazin-3-one
CID 175957551
2-(2-Fluorobutyl)pyridazin-3-one
CID 130621297
2-Butylpyridazin-3-one
CID 12758395
2-(Propan-2-yl)-2,3-dihydropyridazin-3-one
CID 19915066
2-Propylpyridazin-3-one
CID 21479118
2-(2-Methylpropyl)pyridazin-3-one
CID 23018253
2-(3-Methylbutan-2-yl)pyridazin-3-one
CID 58125063
2-Butan-2-ylpyridazin-3-one
CID 66921964
2-Pentylpyridazin-3-one
CID 69248716
2-Cyclohexyl-2,3-dihydropyridazin-3-one
CID 70313378
2-(2-Methylprop-2-enyl)pyridazin-3-one
CID 89140353
2-(2,2-Dimethylpropyl)pyridazin-3-one
CID 89850538

Frequently Asked Questions

What is the IUPAC name of 2-hexan-2-ylpyridazin-3-one?
The IUPAC name of 2-hexan-2-ylpyridazin-3-one (CID 165135892) is 2-hexan-2-ylpyridazin-3-one.
What is the SMILES notation for 2-hexan-2-ylpyridazin-3-one?
The canonical SMILES for 2-hexan-2-ylpyridazin-3-one is CCCCC(C)n1ncccc1=O.
What is the InChIKey of 2-hexan-2-ylpyridazin-3-one?
The InChIKey is JZBJQFDMUFXKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-4-6-9(2)12-10(13)7-5-8-11-12/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of 2-hexan-2-ylpyridazin-3-one?
2-hexan-2-ylpyridazin-3-one has a molecular weight of 180.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-2-ylpyridazin-3-one is sourced from PubChem (CID 165135892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).