N-but-3-enyl-3-fluoropyrazin-2-amine

C8H10FN3 — CID 164657217

IUPACN-but-3-enyl-3-fluoropyrazin-2-amine
SMILESC=CCCNc1nccnc1F
InChIInChI=1S/C8H10FN3/c1-2-3-4-11-8-7(9)10-5-6-12-8/h2,5-6H,1,3-4H2,(H,11,12)
InChIKeyPLWAADITWGIPFS-UHFFFAOYSA-N
MW167.19 g/mol
LogP1.60
Rot. Bonds4

About N-but-3-enyl-3-fluoropyrazin-2-amine

N-but-3-enyl-3-fluoropyrazin-2-amine (PubChem CID 164657217) has the molecular formula C8H10FN3 and a molecular weight of 167.19 g/mol. Its IUPAC name is N-but-3-enyl-3-fluoropyrazin-2-amine.

Molecular Properties

Compound NameN-but-3-enyl-3-fluoropyrazin-2-amine
PubChem CID164657217
Molecular FormulaC8H10FN3
Molecular Weight167.19 g/mol
Exact Mass167.09
IUPAC NameN-but-3-enyl-3-fluoropyrazin-2-amine
SMILESC=CCCNc1nccnc1F
InChIInChI=1S/C8H10FN3/c1-2-3-4-11-8-7(9)10-5-6-12-8/h2,5-6H,1,3-4H2,(H,11,12)
InChIKeyPLWAADITWGIPFS-UHFFFAOYSA-N
XLogP1.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-but-3-enyl-3-fluoropyrazin-2-amine?
The IUPAC name of N-but-3-enyl-3-fluoropyrazin-2-amine (CID 164657217) is N-but-3-enyl-3-fluoropyrazin-2-amine.
What is the SMILES notation for N-but-3-enyl-3-fluoropyrazin-2-amine?
The canonical SMILES for N-but-3-enyl-3-fluoropyrazin-2-amine is C=CCCNc1nccnc1F.
What is the InChIKey of N-but-3-enyl-3-fluoropyrazin-2-amine?
The InChIKey is PLWAADITWGIPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3/c1-2-3-4-11-8-7(9)10-5-6-12-8/h2,5-6H,1,3-4H2,(H,11,12).
What are the key properties of N-but-3-enyl-3-fluoropyrazin-2-amine?
N-but-3-enyl-3-fluoropyrazin-2-amine has a molecular weight of 167.19 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-3-fluoropyrazin-2-amine is sourced from PubChem (CID 164657217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).