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

C8H12N2O3 — CID 63271084

IUPAC2-(2-hydroxyethyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(CCO)[nH]c1=O
InChIInChI=1S/C8H12N2O3/c1-5-6(2)8(13)10(3-4-11)9-7(5)12/h11H,3-4H2,1-2H3,(H,9,12)
InChIKeyQDNGODIJAHEHBY-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.85
Rot. Bonds2

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

2-(2-hydroxyethyl)-4,5-dimethyl-1H-pyridazine-3,6-dione (PubChem CID 63271084) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-4,5-dimethyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
PubChem CID63271084
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(2-hydroxyethyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(CCO)[nH]c1=O
InChIInChI=1S/C8H12N2O3/c1-5-6(2)8(13)10(3-4-11)9-7(5)12/h11H,3-4H2,1-2H3,(H,9,12)
InChIKeyQDNGODIJAHEHBY-UHFFFAOYSA-N
XLogP-0.85
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(2-hydroxyethyl)-4,5-dimethyl-1H-pyridazine-3,6-dione (CID 63271084) is 2-(2-hydroxyethyl)-4,5-dimethyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(2-hydroxyethyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(2-hydroxyethyl)-4,5-dimethyl-1H-pyridazine-3,6-dione is Cc1c(C)c(=O)n(CCO)[nH]c1=O.
What is the InChIKey of 2-(2-hydroxyethyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The InChIKey is QDNGODIJAHEHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-6(2)8(13)10(3-4-11)9-7(5)12/h11H,3-4H2,1-2H3,(H,9,12).
What are the key properties of 2-(2-hydroxyethyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
2-(2-hydroxyethyl)-4,5-dimethyl-1H-pyridazine-3,6-dione has a molecular weight of 184.19 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-4,5-dimethyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 63271084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).