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

C7H10N2O3 — CID 2738075

IUPAC2-(2-hydroxyethyl)-4-methyl-1H-pyridazine-3,6-dione
SMILESCc1cc(=O)[nH]n(CCO)c1=O
InChIInChI=1S/C7H10N2O3/c1-5-4-6(11)8-9(2-3-10)7(5)12/h4,10H,2-3H2,1H3,(H,8,11)
InChIKeyHFXDRJWHBIQAKW-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.16
Rot. Bonds2

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

2-(2-hydroxyethyl)-4-methyl-1H-pyridazine-3,6-dione (PubChem CID 2738075) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-4-methyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-4-methyl-1H-pyridazine-3,6-dione
PubChem CID2738075
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(2-hydroxyethyl)-4-methyl-1H-pyridazine-3,6-dione
SMILESCc1cc(=O)[nH]n(CCO)c1=O
InChIInChI=1S/C7H10N2O3/c1-5-4-6(11)8-9(2-3-10)7(5)12/h4,10H,2-3H2,1H3,(H,8,11)
InChIKeyHFXDRJWHBIQAKW-UHFFFAOYSA-N
XLogP-1.16
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.16
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-methyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(2-hydroxyethyl)-4-methyl-1H-pyridazine-3,6-dione (CID 2738075) is 2-(2-hydroxyethyl)-4-methyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(2-hydroxyethyl)-4-methyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(2-hydroxyethyl)-4-methyl-1H-pyridazine-3,6-dione is Cc1cc(=O)[nH]n(CCO)c1=O.
What is the InChIKey of 2-(2-hydroxyethyl)-4-methyl-1H-pyridazine-3,6-dione?
The InChIKey is HFXDRJWHBIQAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5-4-6(11)8-9(2-3-10)7(5)12/h4,10H,2-3H2,1H3,(H,8,11).
What are the key properties of 2-(2-hydroxyethyl)-4-methyl-1H-pyridazine-3,6-dione?
2-(2-hydroxyethyl)-4-methyl-1H-pyridazine-3,6-dione has a molecular weight of 170.17 g/mol, XLogP of -1.16, 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-methyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 2738075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).