(5-prop-2-enoxypyrazin-2-yl)methanamine

C8H11N3O — CID 107381316

IUPAC(5-prop-2-enoxypyrazin-2-yl)methanamine
SMILESC=CCOc1cnc(CN)cn1
InChIInChI=1S/C8H11N3O/c1-2-3-12-8-6-10-7(4-9)5-11-8/h2,5-6H,1,3-4,9H2
InChIKeyZACJETZUHBGXCQ-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.50
Rot. Bonds4

About (5-prop-2-enoxypyrazin-2-yl)methanamine

(5-prop-2-enoxypyrazin-2-yl)methanamine (PubChem CID 107381316) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is (5-prop-2-enoxypyrazin-2-yl)methanamine.

Molecular Properties

Compound Name(5-prop-2-enoxypyrazin-2-yl)methanamine
PubChem CID107381316
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name(5-prop-2-enoxypyrazin-2-yl)methanamine
SMILESC=CCOc1cnc(CN)cn1
InChIInChI=1S/C8H11N3O/c1-2-3-12-8-6-10-7(4-9)5-11-8/h2,5-6H,1,3-4,9H2
InChIKeyZACJETZUHBGXCQ-UHFFFAOYSA-N
XLogP0.50
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-prop-2-enoxypyrazin-2-yl)methanamine?
The IUPAC name of (5-prop-2-enoxypyrazin-2-yl)methanamine (CID 107381316) is (5-prop-2-enoxypyrazin-2-yl)methanamine.
What is the SMILES notation for (5-prop-2-enoxypyrazin-2-yl)methanamine?
The canonical SMILES for (5-prop-2-enoxypyrazin-2-yl)methanamine is C=CCOc1cnc(CN)cn1.
What is the InChIKey of (5-prop-2-enoxypyrazin-2-yl)methanamine?
The InChIKey is ZACJETZUHBGXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-2-3-12-8-6-10-7(4-9)5-11-8/h2,5-6H,1,3-4,9H2.
What are the key properties of (5-prop-2-enoxypyrazin-2-yl)methanamine?
(5-prop-2-enoxypyrazin-2-yl)methanamine has a molecular weight of 165.20 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-prop-2-enoxypyrazin-2-yl)methanamine is sourced from PubChem (CID 107381316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).