5-tert-butyl-1,4-dihydropyrazine-2,3-dione

C8H12N2O2 — CID 134558447

IUPAC5-tert-butyl-1,4-dihydropyrazine-2,3-dione
SMILESCC(C)(C)c1c[nH]c(=O)c(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-8(2,3)5-4-9-6(11)7(12)10-5/h4H,1-3H3,(H,9,11)(H,10,12)
InChIKeySSUPFCMIDZCKTM-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.36
Rot. Bonds

About 5-tert-butyl-1,4-dihydropyrazine-2,3-dione

5-tert-butyl-1,4-dihydropyrazine-2,3-dione (PubChem CID 134558447) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-tert-butyl-1,4-dihydropyrazine-2,3-dione.

Molecular Properties

Compound Name5-tert-butyl-1,4-dihydropyrazine-2,3-dione
PubChem CID134558447
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-tert-butyl-1,4-dihydropyrazine-2,3-dione
SMILESCC(C)(C)c1c[nH]c(=O)c(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-8(2,3)5-4-9-6(11)7(12)10-5/h4H,1-3H3,(H,9,11)(H,10,12)
InChIKeySSUPFCMIDZCKTM-UHFFFAOYSA-N
XLogP0.36
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.36
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-tert-butyl-1,4-dihydropyrazine-2,3-dione?
The IUPAC name of 5-tert-butyl-1,4-dihydropyrazine-2,3-dione (CID 134558447) is 5-tert-butyl-1,4-dihydropyrazine-2,3-dione.
What is the SMILES notation for 5-tert-butyl-1,4-dihydropyrazine-2,3-dione?
The canonical SMILES for 5-tert-butyl-1,4-dihydropyrazine-2,3-dione is CC(C)(C)c1c[nH]c(=O)c(=O)[nH]1.
What is the InChIKey of 5-tert-butyl-1,4-dihydropyrazine-2,3-dione?
The InChIKey is SSUPFCMIDZCKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(2,3)5-4-9-6(11)7(12)10-5/h4H,1-3H3,(H,9,11)(H,10,12).
What are the key properties of 5-tert-butyl-1,4-dihydropyrazine-2,3-dione?
5-tert-butyl-1,4-dihydropyrazine-2,3-dione has a molecular weight of 168.20 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,4-dihydropyrazine-2,3-dione is sourced from PubChem (CID 134558447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).