5-propan-2-yl-1,4-dihydropyrazine-2,3-dione

C7H10N2O2 — CID 89458462

IUPAC5-propan-2-yl-1,4-dihydropyrazine-2,3-dione
SMILESCC(C)c1c[nH]c(=O)c(=O)[nH]1
InChIInChI=1S/C7H10N2O2/c1-4(2)5-3-8-6(10)7(11)9-5/h3-4H,1-2H3,(H,8,10)(H,9,11)
InChIKeyUSBBXHRTMPSAJM-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.19
Rot. Bonds1

About 5-propan-2-yl-1,4-dihydropyrazine-2,3-dione

5-propan-2-yl-1,4-dihydropyrazine-2,3-dione (PubChem CID 89458462) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-propan-2-yl-1,4-dihydropyrazine-2,3-dione.

Molecular Properties

Compound Name5-propan-2-yl-1,4-dihydropyrazine-2,3-dione
PubChem CID89458462
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name5-propan-2-yl-1,4-dihydropyrazine-2,3-dione
SMILESCC(C)c1c[nH]c(=O)c(=O)[nH]1
InChIInChI=1S/C7H10N2O2/c1-4(2)5-3-8-6(10)7(11)9-5/h3-4H,1-2H3,(H,8,10)(H,9,11)
InChIKeyUSBBXHRTMPSAJM-UHFFFAOYSA-N
XLogP0.19
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.19
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 5-propan-2-yl-1,4-dihydropyrazine-2,3-dione?
The IUPAC name of 5-propan-2-yl-1,4-dihydropyrazine-2,3-dione (CID 89458462) is 5-propan-2-yl-1,4-dihydropyrazine-2,3-dione.
What is the SMILES notation for 5-propan-2-yl-1,4-dihydropyrazine-2,3-dione?
The canonical SMILES for 5-propan-2-yl-1,4-dihydropyrazine-2,3-dione is CC(C)c1c[nH]c(=O)c(=O)[nH]1.
What is the InChIKey of 5-propan-2-yl-1,4-dihydropyrazine-2,3-dione?
The InChIKey is USBBXHRTMPSAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4(2)5-3-8-6(10)7(11)9-5/h3-4H,1-2H3,(H,8,10)(H,9,11).
What are the key properties of 5-propan-2-yl-1,4-dihydropyrazine-2,3-dione?
5-propan-2-yl-1,4-dihydropyrazine-2,3-dione has a molecular weight of 154.17 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,4-dihydropyrazine-2,3-dione is sourced from PubChem (CID 89458462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).