6-(3-fluoropropoxy)pyrazin-2-amine

C7H10FN3O — CID 118107881

IUPAC6-(3-fluoropropoxy)pyrazin-2-amine
SMILESNc1cncc(OCCCF)n1
InChIInChI=1S/C7H10FN3O/c8-2-1-3-12-7-5-10-4-6(9)11-7/h4-5H,1-3H2,(H2,9,11)
InChIKeyCLACYGDWYWZTDS-UHFFFAOYSA-N
MW171.18 g/mol
LogP0.80
Rot. Bonds4

About 6-(3-fluoropropoxy)pyrazin-2-amine

6-(3-fluoropropoxy)pyrazin-2-amine (PubChem CID 118107881) has the molecular formula C7H10FN3O and a molecular weight of 171.18 g/mol. Its IUPAC name is 6-(3-fluoropropoxy)pyrazin-2-amine.

Molecular Properties

Compound Name6-(3-fluoropropoxy)pyrazin-2-amine
PubChem CID118107881
Molecular FormulaC7H10FN3O
Molecular Weight171.18 g/mol
Exact Mass171.08
IUPAC Name6-(3-fluoropropoxy)pyrazin-2-amine
SMILESNc1cncc(OCCCF)n1
InChIInChI=1S/C7H10FN3O/c8-2-1-3-12-7-5-10-4-6(9)11-7/h4-5H,1-3H2,(H2,9,11)
InChIKeyCLACYGDWYWZTDS-UHFFFAOYSA-N
XLogP0.80
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.18
LogP ≤ 50.80
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 6-(3-fluoropropoxy)pyrazin-2-amine?
The IUPAC name of 6-(3-fluoropropoxy)pyrazin-2-amine (CID 118107881) is 6-(3-fluoropropoxy)pyrazin-2-amine.
What is the SMILES notation for 6-(3-fluoropropoxy)pyrazin-2-amine?
The canonical SMILES for 6-(3-fluoropropoxy)pyrazin-2-amine is Nc1cncc(OCCCF)n1.
What is the InChIKey of 6-(3-fluoropropoxy)pyrazin-2-amine?
The InChIKey is CLACYGDWYWZTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c8-2-1-3-12-7-5-10-4-6(9)11-7/h4-5H,1-3H2,(H2,9,11).
What are the key properties of 6-(3-fluoropropoxy)pyrazin-2-amine?
6-(3-fluoropropoxy)pyrazin-2-amine has a molecular weight of 171.18 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoropropoxy)pyrazin-2-amine is sourced from PubChem (CID 118107881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).