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

C7H8N2O2 — CID 54412693

IUPAC4-cyclopropyl-1H-pyrazine-2,3-dione
SMILESO=c1[nH]ccn(C2CC2)c1=O
InChIInChI=1S/C7H8N2O2/c10-6-7(11)9(4-3-8-6)5-1-2-5/h3-5H,1-2H2,(H,8,10)
InChIKeyVVFXYQTYJBYIAK-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.13
Rot. Bonds1

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

4-cyclopropyl-1H-pyrazine-2,3-dione (PubChem CID 54412693) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 4-cyclopropyl-1H-pyrazine-2,3-dione.

Molecular Properties

Compound Name4-cyclopropyl-1H-pyrazine-2,3-dione
PubChem CID54412693
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name4-cyclopropyl-1H-pyrazine-2,3-dione
SMILESO=c1[nH]ccn(C2CC2)c1=O
InChIInChI=1S/C7H8N2O2/c10-6-7(11)9(4-3-8-6)5-1-2-5/h3-5H,1-2H2,(H,8,10)
InChIKeyVVFXYQTYJBYIAK-UHFFFAOYSA-N
XLogP-0.13
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.13
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-cyclopropyl-1H-pyrazine-2,3-dione?
The IUPAC name of 4-cyclopropyl-1H-pyrazine-2,3-dione (CID 54412693) is 4-cyclopropyl-1H-pyrazine-2,3-dione.
What is the SMILES notation for 4-cyclopropyl-1H-pyrazine-2,3-dione?
The canonical SMILES for 4-cyclopropyl-1H-pyrazine-2,3-dione is O=c1[nH]ccn(C2CC2)c1=O.
What is the InChIKey of 4-cyclopropyl-1H-pyrazine-2,3-dione?
The InChIKey is VVFXYQTYJBYIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-6-7(11)9(4-3-8-6)5-1-2-5/h3-5H,1-2H2,(H,8,10).
What are the key properties of 4-cyclopropyl-1H-pyrazine-2,3-dione?
4-cyclopropyl-1H-pyrazine-2,3-dione has a molecular weight of 152.15 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1H-pyrazine-2,3-dione is sourced from PubChem (CID 54412693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).