6-(3-fluorophenyl)-N-(2-methoxyethyl)-1,2,3,6-tetrahydropyrazin-5-amine

C13H18FN3O — CID 50767870

IUPAC6-(3-fluorophenyl)-N-(2-methoxyethyl)-1,2,3,6-tetrahydropyrazin-5-amine
SMILESCOCCNC1=NCCNC1c1cccc(F)c1
InChIInChI=1S/C13H18FN3O/c1-18-8-7-17-13-12(15-5-6-16-13)10-3-2-4-11(14)9-10/h2-4,9,12,15H,5-8H2,1H3,(H,16,17)
InChIKeyPJXRDIGDZCVMTL-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.10
Rot. Bonds4

About 6-(3-fluorophenyl)-N-(2-methoxyethyl)-1,2,3,6-tetrahydropyrazin-5-amine

6-(3-fluorophenyl)-N-(2-methoxyethyl)-1,2,3,6-tetrahydropyrazin-5-amine (PubChem CID 50767870) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-(2-methoxyethyl)-1,2,3,6-tetrahydropyrazin-5-amine.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-(2-methoxyethyl)-1,2,3,6-tetrahydropyrazin-5-amine
PubChem CID50767870
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name6-(3-fluorophenyl)-N-(2-methoxyethyl)-1,2,3,6-tetrahydropyrazin-5-amine
SMILESCOCCNC1=NCCNC1c1cccc(F)c1
InChIInChI=1S/C13H18FN3O/c1-18-8-7-17-13-12(15-5-6-16-13)10-3-2-4-11(14)9-10/h2-4,9,12,15H,5-8H2,1H3,(H,16,17)
InChIKeyPJXRDIGDZCVMTL-UHFFFAOYSA-N
XLogP1.10
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-(2-methoxyethyl)-1,2,3,6-tetrahydropyrazin-5-amine?
The IUPAC name of 6-(3-fluorophenyl)-N-(2-methoxyethyl)-1,2,3,6-tetrahydropyrazin-5-amine (CID 50767870) is 6-(3-fluorophenyl)-N-(2-methoxyethyl)-1,2,3,6-tetrahydropyrazin-5-amine.
What is the SMILES notation for 6-(3-fluorophenyl)-N-(2-methoxyethyl)-1,2,3,6-tetrahydropyrazin-5-amine?
The canonical SMILES for 6-(3-fluorophenyl)-N-(2-methoxyethyl)-1,2,3,6-tetrahydropyrazin-5-amine is COCCNC1=NCCNC1c1cccc(F)c1.
What is the InChIKey of 6-(3-fluorophenyl)-N-(2-methoxyethyl)-1,2,3,6-tetrahydropyrazin-5-amine?
The InChIKey is PJXRDIGDZCVMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-18-8-7-17-13-12(15-5-6-16-13)10-3-2-4-11(14)9-10/h2-4,9,12,15H,5-8H2,1H3,(H,16,17).
What are the key properties of 6-(3-fluorophenyl)-N-(2-methoxyethyl)-1,2,3,6-tetrahydropyrazin-5-amine?
6-(3-fluorophenyl)-N-(2-methoxyethyl)-1,2,3,6-tetrahydropyrazin-5-amine has a molecular weight of 251.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-(2-methoxyethyl)-1,2,3,6-tetrahydropyrazin-5-amine is sourced from PubChem (CID 50767870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).