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

C10H16N2O3 — CID 63271085

IUPAC2-(4-hydroxybutyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(CCCCO)[nH]c1=O
InChIInChI=1S/C10H16N2O3/c1-7-8(2)10(15)12(11-9(7)14)5-3-4-6-13/h13H,3-6H2,1-2H3,(H,11,14)
InChIKeyLNDGINFDKMHNFP-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.07
Rot. Bonds4

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

2-(4-hydroxybutyl)-4,5-dimethyl-1H-pyridazine-3,6-dione (PubChem CID 63271085) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(4-hydroxybutyl)-4,5-dimethyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(4-hydroxybutyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
PubChem CID63271085
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-(4-hydroxybutyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(CCCCO)[nH]c1=O
InChIInChI=1S/C10H16N2O3/c1-7-8(2)10(15)12(11-9(7)14)5-3-4-6-13/h13H,3-6H2,1-2H3,(H,11,14)
InChIKeyLNDGINFDKMHNFP-UHFFFAOYSA-N
XLogP-0.07
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.07
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

N'-(4-hydroxybutyl)-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide
CID 139466882
2-(2-hydroxyethyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63271084
2-(3-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63271086
2-(2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63271125
2-(5-hydroxypentyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63271126
2-(3-hydroxy-3-methylbutyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 79359718
2-(3-hydroxybutan-2-yl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 80076892
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-(4-hydroxybutyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(4-hydroxybutyl)-4,5-dimethyl-1H-pyridazine-3,6-dione (CID 63271085) is 2-(4-hydroxybutyl)-4,5-dimethyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(4-hydroxybutyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(4-hydroxybutyl)-4,5-dimethyl-1H-pyridazine-3,6-dione is Cc1c(C)c(=O)n(CCCCO)[nH]c1=O.
What is the InChIKey of 2-(4-hydroxybutyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The InChIKey is LNDGINFDKMHNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7-8(2)10(15)12(11-9(7)14)5-3-4-6-13/h13H,3-6H2,1-2H3,(H,11,14).
What are the key properties of 2-(4-hydroxybutyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
2-(4-hydroxybutyl)-4,5-dimethyl-1H-pyridazine-3,6-dione has a molecular weight of 212.25 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutyl)-4,5-dimethyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 63271085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).