4-propyl-1H-pyrazine-2,3-dione

C7H10N2O2 — CID 13366345

IUPAC4-propyl-1H-pyrazine-2,3-dione
SMILESCCCn1cc[nH]c(=O)c1=O
InChIInChI=1S/C7H10N2O2/c1-2-4-9-5-3-8-6(10)7(9)11/h3,5H,2,4H2,1H3,(H,8,10)
InChIKeyYDQMPGDGAVXCFC-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.05
Rot. Bonds2

About 4-propyl-1H-pyrazine-2,3-dione

4-propyl-1H-pyrazine-2,3-dione (PubChem CID 13366345) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-propyl-1H-pyrazine-2,3-dione.

Molecular Properties

Compound Name4-propyl-1H-pyrazine-2,3-dione
PubChem CID13366345
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name4-propyl-1H-pyrazine-2,3-dione
SMILESCCCn1cc[nH]c(=O)c1=O
InChIInChI=1S/C7H10N2O2/c1-2-4-9-5-3-8-6(10)7(9)11/h3,5H,2,4H2,1H3,(H,8,10)
InChIKeyYDQMPGDGAVXCFC-UHFFFAOYSA-N
XLogP-0.05
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-propyl-1H-pyrazine-2,3-dione?
The IUPAC name of 4-propyl-1H-pyrazine-2,3-dione (CID 13366345) is 4-propyl-1H-pyrazine-2,3-dione.
What is the SMILES notation for 4-propyl-1H-pyrazine-2,3-dione?
The canonical SMILES for 4-propyl-1H-pyrazine-2,3-dione is CCCn1cc[nH]c(=O)c1=O.
What is the InChIKey of 4-propyl-1H-pyrazine-2,3-dione?
The InChIKey is YDQMPGDGAVXCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-4-9-5-3-8-6(10)7(9)11/h3,5H,2,4H2,1H3,(H,8,10).
What are the key properties of 4-propyl-1H-pyrazine-2,3-dione?
4-propyl-1H-pyrazine-2,3-dione has a molecular weight of 154.17 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1H-pyrazine-2,3-dione is sourced from PubChem (CID 13366345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).