(5-but-3-enoxypyrazin-2-yl)methanamine

C9H13N3O — CID 107381324

IUPAC(5-but-3-enoxypyrazin-2-yl)methanamine
SMILESC=CCCOc1cnc(CN)cn1
InChIInChI=1S/C9H13N3O/c1-2-3-4-13-9-7-11-8(5-10)6-12-9/h2,6-7H,1,3-5,10H2
InChIKeyJEGFPCDAHVMVIS-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.89
Rot. Bonds5

About (5-but-3-enoxypyrazin-2-yl)methanamine

(5-but-3-enoxypyrazin-2-yl)methanamine (PubChem CID 107381324) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (5-but-3-enoxypyrazin-2-yl)methanamine.

Molecular Properties

Compound Name(5-but-3-enoxypyrazin-2-yl)methanamine
PubChem CID107381324
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(5-but-3-enoxypyrazin-2-yl)methanamine
SMILESC=CCCOc1cnc(CN)cn1
InChIInChI=1S/C9H13N3O/c1-2-3-4-13-9-7-11-8(5-10)6-12-9/h2,6-7H,1,3-5,10H2
InChIKeyJEGFPCDAHVMVIS-UHFFFAOYSA-N
XLogP0.89
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-but-3-enoxypyrazin-2-yl)methanamine?
The IUPAC name of (5-but-3-enoxypyrazin-2-yl)methanamine (CID 107381324) is (5-but-3-enoxypyrazin-2-yl)methanamine.
What is the SMILES notation for (5-but-3-enoxypyrazin-2-yl)methanamine?
The canonical SMILES for (5-but-3-enoxypyrazin-2-yl)methanamine is C=CCCOc1cnc(CN)cn1.
What is the InChIKey of (5-but-3-enoxypyrazin-2-yl)methanamine?
The InChIKey is JEGFPCDAHVMVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-3-4-13-9-7-11-8(5-10)6-12-9/h2,6-7H,1,3-5,10H2.
What are the key properties of (5-but-3-enoxypyrazin-2-yl)methanamine?
(5-but-3-enoxypyrazin-2-yl)methanamine has a molecular weight of 179.22 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-but-3-enoxypyrazin-2-yl)methanamine is sourced from PubChem (CID 107381324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).