6-(2-cyclopropylethyl)-1,2-dihydropyridazine-3,4-dione

C9H12N2O2 — CID 71504945

IUPAC6-(2-cyclopropylethyl)-1,2-dihydropyridazine-3,4-dione
SMILESO=c1cc(CCC2CC2)[nH][nH]c1=O
InChIInChI=1S/C9H12N2O2/c12-8-5-7(10-11-9(8)13)4-3-6-1-2-6/h5-6H,1-4H2,(H,10,12)(H,11,13)
InChIKeyJGLGHUJJSNRHMS-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.41
Rot. Bonds3

About 6-(2-cyclopropylethyl)-1,2-dihydropyridazine-3,4-dione

6-(2-cyclopropylethyl)-1,2-dihydropyridazine-3,4-dione (PubChem CID 71504945) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 6-(2-cyclopropylethyl)-1,2-dihydropyridazine-3,4-dione.

Molecular Properties

Compound Name6-(2-cyclopropylethyl)-1,2-dihydropyridazine-3,4-dione
PubChem CID71504945
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name6-(2-cyclopropylethyl)-1,2-dihydropyridazine-3,4-dione
SMILESO=c1cc(CCC2CC2)[nH][nH]c1=O
InChIInChI=1S/C9H12N2O2/c12-8-5-7(10-11-9(8)13)4-3-6-1-2-6/h5-6H,1-4H2,(H,10,12)(H,11,13)
InChIKeyJGLGHUJJSNRHMS-UHFFFAOYSA-N
XLogP0.41
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylethyl)-1,2-dihydropyridazine-3,4-dione?
The IUPAC name of 6-(2-cyclopropylethyl)-1,2-dihydropyridazine-3,4-dione (CID 71504945) is 6-(2-cyclopropylethyl)-1,2-dihydropyridazine-3,4-dione.
What is the SMILES notation for 6-(2-cyclopropylethyl)-1,2-dihydropyridazine-3,4-dione?
The canonical SMILES for 6-(2-cyclopropylethyl)-1,2-dihydropyridazine-3,4-dione is O=c1cc(CCC2CC2)[nH][nH]c1=O.
What is the InChIKey of 6-(2-cyclopropylethyl)-1,2-dihydropyridazine-3,4-dione?
The InChIKey is JGLGHUJJSNRHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-8-5-7(10-11-9(8)13)4-3-6-1-2-6/h5-6H,1-4H2,(H,10,12)(H,11,13).
What are the key properties of 6-(2-cyclopropylethyl)-1,2-dihydropyridazine-3,4-dione?
6-(2-cyclopropylethyl)-1,2-dihydropyridazine-3,4-dione has a molecular weight of 180.21 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropylethyl)-1,2-dihydropyridazine-3,4-dione is sourced from PubChem (CID 71504945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).