5-fluoro-N-(3-methoxypropyl)pyrazin-2-amine

C8H12FN3O — CID 165495737

IUPAC5-fluoro-N-(3-methoxypropyl)pyrazin-2-amine
SMILESCOCCCNc1cnc(F)cn1
InChIInChI=1S/C8H12FN3O/c1-13-4-2-3-10-8-6-11-7(9)5-12-8/h5-6H,2-4H2,1H3,(H,10,12)
InChIKeyMAILQZRRGVUHKP-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.06
Rot. Bonds5

About 5-fluoro-N-(3-methoxypropyl)pyrazin-2-amine

5-fluoro-N-(3-methoxypropyl)pyrazin-2-amine (PubChem CID 165495737) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 5-fluoro-N-(3-methoxypropyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(3-methoxypropyl)pyrazin-2-amine
PubChem CID165495737
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name5-fluoro-N-(3-methoxypropyl)pyrazin-2-amine
SMILESCOCCCNc1cnc(F)cn1
InChIInChI=1S/C8H12FN3O/c1-13-4-2-3-10-8-6-11-7(9)5-12-8/h5-6H,2-4H2,1H3,(H,10,12)
InChIKeyMAILQZRRGVUHKP-UHFFFAOYSA-N
XLogP1.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
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 5-fluoro-N-(3-methoxypropyl)pyrazin-2-amine?
The IUPAC name of 5-fluoro-N-(3-methoxypropyl)pyrazin-2-amine (CID 165495737) is 5-fluoro-N-(3-methoxypropyl)pyrazin-2-amine.
What is the SMILES notation for 5-fluoro-N-(3-methoxypropyl)pyrazin-2-amine?
The canonical SMILES for 5-fluoro-N-(3-methoxypropyl)pyrazin-2-amine is COCCCNc1cnc(F)cn1.
What is the InChIKey of 5-fluoro-N-(3-methoxypropyl)pyrazin-2-amine?
The InChIKey is MAILQZRRGVUHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-13-4-2-3-10-8-6-11-7(9)5-12-8/h5-6H,2-4H2,1H3,(H,10,12).
What are the key properties of 5-fluoro-N-(3-methoxypropyl)pyrazin-2-amine?
5-fluoro-N-(3-methoxypropyl)pyrazin-2-amine has a molecular weight of 185.20 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-methoxypropyl)pyrazin-2-amine is sourced from PubChem (CID 165495737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).