2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one

C8H14N2O2 — CID 21311474

IUPAC2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one
SMILESCCC(O)CN1N=CCCC1=O
InChIInChI=1S/C8H14N2O2/c1-2-7(11)6-10-8(12)4-3-5-9-10/h5,7,11H,2-4,6H2,1H3
InChIKeyODGRSEZNGPEHLY-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.37
Rot. Bonds3

About 2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one

2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one (PubChem CID 21311474) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one
PubChem CID21311474
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one
SMILESCCC(O)CN1N=CCCC1=O
InChIInChI=1S/C8H14N2O2/c1-2-7(11)6-10-8(12)4-3-5-9-10/h5,7,11H,2-4,6H2,1H3
InChIKeyODGRSEZNGPEHLY-UHFFFAOYSA-N
XLogP0.37
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one (CID 21311474) is 2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one is CCC(O)CN1N=CCCC1=O.
What is the InChIKey of 2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one?
The InChIKey is ODGRSEZNGPEHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-7(11)6-10-8(12)4-3-5-9-10/h5,7,11H,2-4,6H2,1H3.
What are the key properties of 2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one?
2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one has a molecular weight of 170.21 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 21311474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).