2-(5-hydroxypentyl)-4,5-dimethyl-1H-pyridazine-3,6-dione

C11H18N2O3 — CID 63271126

IUPAC2-(5-hydroxypentyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(CCCCCO)[nH]c1=O
InChIInChI=1S/C11H18N2O3/c1-8-9(2)11(16)13(12-10(8)15)6-4-3-5-7-14/h14H,3-7H2,1-2H3,(H,12,15)
InChIKeyFEIOLNZQBOGINI-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.32
Rot. Bonds5

About 2-(5-hydroxypentyl)-4,5-dimethyl-1H-pyridazine-3,6-dione

2-(5-hydroxypentyl)-4,5-dimethyl-1H-pyridazine-3,6-dione (PubChem CID 63271126) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(5-hydroxypentyl)-4,5-dimethyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(5-hydroxypentyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
PubChem CID63271126
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-(5-hydroxypentyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(CCCCCO)[nH]c1=O
InChIInChI=1S/C11H18N2O3/c1-8-9(2)11(16)13(12-10(8)15)6-4-3-5-7-14/h14H,3-7H2,1-2H3,(H,12,15)
InChIKeyFEIOLNZQBOGINI-UHFFFAOYSA-N
XLogP0.32
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.32
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

2-(5-hydroxypentyl)-1H-pyridazine-3,6-dione
CID 62227301
2-(4-hydroxybutyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63271085
2-(3-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63271086
5-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)pentanoic acid
CID 63271261
2-[(1S,2S)-2-hydroxycyclopentyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 102735157
2-(3-hydroxybutyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 104318524
2-(6-hydroxyhexyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 113991659
2-(3-hydroxy-2-methylpropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 116493408

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxypentyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(5-hydroxypentyl)-4,5-dimethyl-1H-pyridazine-3,6-dione (CID 63271126) is 2-(5-hydroxypentyl)-4,5-dimethyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(5-hydroxypentyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(5-hydroxypentyl)-4,5-dimethyl-1H-pyridazine-3,6-dione is Cc1c(C)c(=O)n(CCCCCO)[nH]c1=O.
What is the InChIKey of 2-(5-hydroxypentyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The InChIKey is FEIOLNZQBOGINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8-9(2)11(16)13(12-10(8)15)6-4-3-5-7-14/h14H,3-7H2,1-2H3,(H,12,15).
What are the key properties of 2-(5-hydroxypentyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
2-(5-hydroxypentyl)-4,5-dimethyl-1H-pyridazine-3,6-dione has a molecular weight of 226.28 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxypentyl)-4,5-dimethyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 63271126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).