2-(2-hydroxypentyl)pyridazin-3-one

C9H14N2O2 — CID 62848741

IUPAC2-(2-hydroxypentyl)pyridazin-3-one
SMILESCCCC(O)Cn1ncccc1=O
InChIInChI=1S/C9H14N2O2/c1-2-4-8(12)7-11-9(13)5-3-6-10-11/h3,5-6,8,12H,2,4,7H2,1H3
InChIKeyJZVJWIKFNHZKGU-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.40
Rot. Bonds4

About 2-(2-hydroxypentyl)pyridazin-3-one

2-(2-hydroxypentyl)pyridazin-3-one (PubChem CID 62848741) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(2-hydroxypentyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxypentyl)pyridazin-3-one
PubChem CID62848741
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(2-hydroxypentyl)pyridazin-3-one
SMILESCCCC(O)Cn1ncccc1=O
InChIInChI=1S/C9H14N2O2/c1-2-4-8(12)7-11-9(13)5-3-6-10-11/h3,5-6,8,12H,2,4,7H2,1H3
InChIKeyJZVJWIKFNHZKGU-UHFFFAOYSA-N
XLogP0.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Hydroxyethyl)-3-pyridazone
CID 12554429
2-(3-Fluoro-2-hydroxypropyl)-2,3-dihydropyridazin-3-one
CID 165748136
2-(2-Hydroxybutyl)pyridazin-3-one
CID 62849611
2-(2-Hydroxy-3-methoxypropyl)pyridazin-3-one
CID 91026591
2-[(2R)-2-hydroxy-3-methoxypropyl]pyridazin-3-one
CID 123747839
2-(2-Hydroxycyclohexyl)-2,3-dihydropyridazin-3-one
CID 126857270
2-[(2S)-2-hydroxy-3-methoxypropyl]pyridazin-3-one
CID 141267631
N-[4-(3-hydroxypiperidin-1-yl)butyl]-N-[(Z)-prop-2-enylideneamino]acetamide
CID 156511729
2-(1-Hydroxypropyl)pyridazin-3-one
CID 174258046
2-(4-Hydroxybutyl)pyridazin-3-one
CID 62849433
2-(2-Hydroxypropyl)-2,3-dihydropyridazin-3-one
CID 62849436
2-(5-Hydroxypentyl)pyridazin-3-one
CID 62849612

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypentyl)pyridazin-3-one?
The IUPAC name of 2-(2-hydroxypentyl)pyridazin-3-one (CID 62848741) is 2-(2-hydroxypentyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxypentyl)pyridazin-3-one?
The canonical SMILES for 2-(2-hydroxypentyl)pyridazin-3-one is CCCC(O)Cn1ncccc1=O.
What is the InChIKey of 2-(2-hydroxypentyl)pyridazin-3-one?
The InChIKey is JZVJWIKFNHZKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-4-8(12)7-11-9(13)5-3-6-10-11/h3,5-6,8,12H,2,4,7H2,1H3.
What are the key properties of 2-(2-hydroxypentyl)pyridazin-3-one?
2-(2-hydroxypentyl)pyridazin-3-one has a molecular weight of 182.22 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypentyl)pyridazin-3-one is sourced from PubChem (CID 62848741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).