2-(5-hydroxypentyl)-1H-pyridazine-3,6-dione

C9H14N2O3 — CID 62227301

IUPAC2-(5-hydroxypentyl)-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(CCCCCO)[nH]1
InChIInChI=1S/C9H14N2O3/c12-7-3-1-2-6-11-9(14)5-4-8(13)10-11/h4-5,12H,1-3,6-7H2,(H,10,13)
InChIKeyVVZSNTRWEFGFON-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.30
Rot. Bonds5

About 2-(5-hydroxypentyl)-1H-pyridazine-3,6-dione

2-(5-hydroxypentyl)-1H-pyridazine-3,6-dione (PubChem CID 62227301) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(5-hydroxypentyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(5-hydroxypentyl)-1H-pyridazine-3,6-dione
PubChem CID62227301
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-(5-hydroxypentyl)-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(CCCCCO)[nH]1
InChIInChI=1S/C9H14N2O3/c12-7-3-1-2-6-11-9(14)5-4-8(13)10-11/h4-5,12H,1-3,6-7H2,(H,10,13)
InChIKeyVVZSNTRWEFGFON-UHFFFAOYSA-N
XLogP-0.30
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Hydroxy-1-(tetrahydropyranyl)-1,6-dihydropyridazin-6-one
CID 23423396
2-(4-hydroxybutyl)-1H-pyridazine-3,6-dione
CID 10261794
2-(3-hydroxypropyl)-1H-pyridazine-3,6-dione
CID 43509863
2-(5-hydroxypentyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63271126
2-[(1S,2S)-2-hydroxycyclopentyl]-1H-pyridazine-3,6-dione
CID 102735078
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202491
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)acetamide
CID 107318397
2-(6-hydroxyhexyl)-1H-pyridazine-3,6-dione
CID 107705010

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxypentyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(5-hydroxypentyl)-1H-pyridazine-3,6-dione (CID 62227301) is 2-(5-hydroxypentyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(5-hydroxypentyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(5-hydroxypentyl)-1H-pyridazine-3,6-dione is O=c1ccc(=O)n(CCCCCO)[nH]1.
What is the InChIKey of 2-(5-hydroxypentyl)-1H-pyridazine-3,6-dione?
The InChIKey is VVZSNTRWEFGFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c12-7-3-1-2-6-11-9(14)5-4-8(13)10-11/h4-5,12H,1-3,6-7H2,(H,10,13).
What are the key properties of 2-(5-hydroxypentyl)-1H-pyridazine-3,6-dione?
2-(5-hydroxypentyl)-1H-pyridazine-3,6-dione has a molecular weight of 198.22 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxypentyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 62227301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).