3-fluoro-N-[(E)-pent-2-enyl]pyrazin-2-amine

C9H12FN3 — CID 164648121

IUPAC3-fluoro-N-[(E)-pent-2-enyl]pyrazin-2-amine
SMILESCC/C=C/CNc1nccnc1F
InChIInChI=1S/C9H12FN3/c1-2-3-4-5-12-9-8(10)11-6-7-13-9/h3-4,6-7H,2,5H2,1H3,(H,12,13)/b4-3+
InChIKeyHIBUUKBJYCMYND-ONEGZZNKSA-N
MW181.21 g/mol
LogP1.99
Rot. Bonds4

About 3-fluoro-N-[(E)-pent-2-enyl]pyrazin-2-amine

3-fluoro-N-[(E)-pent-2-enyl]pyrazin-2-amine (PubChem CID 164648121) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-fluoro-N-[(E)-pent-2-enyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-[(E)-pent-2-enyl]pyrazin-2-amine
PubChem CID164648121
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name3-fluoro-N-[(E)-pent-2-enyl]pyrazin-2-amine
SMILESCC/C=C/CNc1nccnc1F
InChIInChI=1S/C9H12FN3/c1-2-3-4-5-12-9-8(10)11-6-7-13-9/h3-4,6-7H,2,5H2,1H3,(H,12,13)/b4-3+
InChIKeyHIBUUKBJYCMYND-ONEGZZNKSA-N
XLogP1.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-fluoro-N-[(E)-pent-2-enyl]pyrazin-2-amine?
The IUPAC name of 3-fluoro-N-[(E)-pent-2-enyl]pyrazin-2-amine (CID 164648121) is 3-fluoro-N-[(E)-pent-2-enyl]pyrazin-2-amine.
What is the SMILES notation for 3-fluoro-N-[(E)-pent-2-enyl]pyrazin-2-amine?
The canonical SMILES for 3-fluoro-N-[(E)-pent-2-enyl]pyrazin-2-amine is CC/C=C/CNc1nccnc1F.
What is the InChIKey of 3-fluoro-N-[(E)-pent-2-enyl]pyrazin-2-amine?
The InChIKey is HIBUUKBJYCMYND-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H12FN3/c1-2-3-4-5-12-9-8(10)11-6-7-13-9/h3-4,6-7H,2,5H2,1H3,(H,12,13)/b4-3+.
What are the key properties of 3-fluoro-N-[(E)-pent-2-enyl]pyrazin-2-amine?
3-fluoro-N-[(E)-pent-2-enyl]pyrazin-2-amine has a molecular weight of 181.21 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(E)-pent-2-enyl]pyrazin-2-amine is sourced from PubChem (CID 164648121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).