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

C9H14N2O3 — CID 63271086

IUPAC2-(3-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(CCCO)[nH]c1=O
InChIInChI=1S/C9H14N2O3/c1-6-7(2)9(14)11(4-3-5-12)10-8(6)13/h12H,3-5H2,1-2H3,(H,10,13)
InChIKeyKGHKHVIWIZRGNP-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.46
Rot. Bonds3

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

2-(3-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione (PubChem CID 63271086) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
PubChem CID63271086
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-(3-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(CCCO)[nH]c1=O
InChIInChI=1S/C9H14N2O3/c1-6-7(2)9(14)11(4-3-5-12)10-8(6)13/h12H,3-5H2,1-2H3,(H,10,13)
InChIKeyKGHKHVIWIZRGNP-UHFFFAOYSA-N
XLogP-0.46
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Fluoro-2-hydroxypropyl)-4,5-dimethyl-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 165594693
3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-2-methylpropanoic acid
CID 63270727
2-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63270947
3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanal
CID 63271081
2-(2-hydroxyethyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63271084
2-(4-hydroxybutyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63271085
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
3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanoic acid
CID 63271170
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-(2,3-dihydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 82850960

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(3-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione (CID 63271086) is 2-(3-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(3-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(3-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione is Cc1c(C)c(=O)n(CCCO)[nH]c1=O.
What is the InChIKey of 2-(3-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The InChIKey is KGHKHVIWIZRGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6-7(2)9(14)11(4-3-5-12)10-8(6)13/h12H,3-5H2,1-2H3,(H,10,13).
What are the key properties of 2-(3-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
2-(3-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione has a molecular weight of 198.22 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 63271086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).