1-oxido-2-propylpyrazin-1-ium

C7H10N2O — CID 12826355

IUPAC1-oxido-2-propylpyrazin-1-ium
SMILESCCCc1cncc[n+]1[O-]
InChIInChI=1S/C7H10N2O/c1-2-3-7-6-8-4-5-9(7)10/h4-6H,2-3H2,1H3
InChIKeySRVSLKHTUUXXSI-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.67
Rot. Bonds2

About 1-oxido-2-propylpyrazin-1-ium

1-oxido-2-propylpyrazin-1-ium (PubChem CID 12826355) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-oxido-2-propylpyrazin-1-ium.

Molecular Properties

Compound Name1-oxido-2-propylpyrazin-1-ium
PubChem CID12826355
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name1-oxido-2-propylpyrazin-1-ium
SMILESCCCc1cncc[n+]1[O-]
InChIInChI=1S/C7H10N2O/c1-2-3-7-6-8-4-5-9(7)10/h4-6H,2-3H2,1H3
InChIKeySRVSLKHTUUXXSI-UHFFFAOYSA-N
XLogP0.67
TPSA39.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-oxido-2-propylpyrazin-1-ium?
The IUPAC name of 1-oxido-2-propylpyrazin-1-ium (CID 12826355) is 1-oxido-2-propylpyrazin-1-ium.
What is the SMILES notation for 1-oxido-2-propylpyrazin-1-ium?
The canonical SMILES for 1-oxido-2-propylpyrazin-1-ium is CCCc1cncc[n+]1[O-].
What is the InChIKey of 1-oxido-2-propylpyrazin-1-ium?
The InChIKey is SRVSLKHTUUXXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-3-7-6-8-4-5-9(7)10/h4-6H,2-3H2,1H3.
What are the key properties of 1-oxido-2-propylpyrazin-1-ium?
1-oxido-2-propylpyrazin-1-ium has a molecular weight of 138.17 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-2-propylpyrazin-1-ium is sourced from PubChem (CID 12826355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).