4-tert-butyl-1H-pyrazine-2,3-dione

C8H12N2O2 — CID 58320684

IUPAC4-tert-butyl-1H-pyrazine-2,3-dione
SMILESCC(C)(C)n1cc[nH]c(=O)c1=O
InChIInChI=1S/C8H12N2O2/c1-8(2,3)10-5-4-9-6(11)7(10)12/h4-5H,1-3H3,(H,9,11)
InChIKeyPDBGFMJBZDNHAP-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.29
Rot. Bonds

About 4-tert-butyl-1H-pyrazine-2,3-dione

4-tert-butyl-1H-pyrazine-2,3-dione (PubChem CID 58320684) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-tert-butyl-1H-pyrazine-2,3-dione.

Molecular Properties

Compound Name4-tert-butyl-1H-pyrazine-2,3-dione
PubChem CID58320684
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-tert-butyl-1H-pyrazine-2,3-dione
SMILESCC(C)(C)n1cc[nH]c(=O)c1=O
InChIInChI=1S/C8H12N2O2/c1-8(2,3)10-5-4-9-6(11)7(10)12/h4-5H,1-3H3,(H,9,11)
InChIKeyPDBGFMJBZDNHAP-UHFFFAOYSA-N
XLogP0.29
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.29
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-tert-butyl-1H-pyrazine-2,3-dione?
The IUPAC name of 4-tert-butyl-1H-pyrazine-2,3-dione (CID 58320684) is 4-tert-butyl-1H-pyrazine-2,3-dione.
What is the SMILES notation for 4-tert-butyl-1H-pyrazine-2,3-dione?
The canonical SMILES for 4-tert-butyl-1H-pyrazine-2,3-dione is CC(C)(C)n1cc[nH]c(=O)c1=O.
What is the InChIKey of 4-tert-butyl-1H-pyrazine-2,3-dione?
The InChIKey is PDBGFMJBZDNHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(2,3)10-5-4-9-6(11)7(10)12/h4-5H,1-3H3,(H,9,11).
What are the key properties of 4-tert-butyl-1H-pyrazine-2,3-dione?
4-tert-butyl-1H-pyrazine-2,3-dione has a molecular weight of 168.20 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1H-pyrazine-2,3-dione is sourced from PubChem (CID 58320684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).