5-(3,3,3-trifluoropropoxymethyl)pyrazin-2-amine

C8H10F3N3O — CID 103059390

IUPAC5-(3,3,3-trifluoropropoxymethyl)pyrazin-2-amine
SMILESNc1cnc(COCCC(F)(F)F)cn1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)1-2-15-5-6-3-14-7(12)4-13-6/h3-4H,1-2,5H2,(H2,12,14)
InChIKeyZEFKKHAGIALOPK-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.53
Rot. Bonds4

About 5-(3,3,3-trifluoropropoxymethyl)pyrazin-2-amine

5-(3,3,3-trifluoropropoxymethyl)pyrazin-2-amine (PubChem CID 103059390) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 5-(3,3,3-trifluoropropoxymethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(3,3,3-trifluoropropoxymethyl)pyrazin-2-amine
PubChem CID103059390
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name5-(3,3,3-trifluoropropoxymethyl)pyrazin-2-amine
SMILESNc1cnc(COCCC(F)(F)F)cn1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)1-2-15-5-6-3-14-7(12)4-13-6/h3-4H,1-2,5H2,(H2,12,14)
InChIKeyZEFKKHAGIALOPK-UHFFFAOYSA-N
XLogP1.53
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.53
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-(3,3,3-trifluoropropoxymethyl)pyrazin-2-amine?
The IUPAC name of 5-(3,3,3-trifluoropropoxymethyl)pyrazin-2-amine (CID 103059390) is 5-(3,3,3-trifluoropropoxymethyl)pyrazin-2-amine.
What is the SMILES notation for 5-(3,3,3-trifluoropropoxymethyl)pyrazin-2-amine?
The canonical SMILES for 5-(3,3,3-trifluoropropoxymethyl)pyrazin-2-amine is Nc1cnc(COCCC(F)(F)F)cn1.
What is the InChIKey of 5-(3,3,3-trifluoropropoxymethyl)pyrazin-2-amine?
The InChIKey is ZEFKKHAGIALOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)1-2-15-5-6-3-14-7(12)4-13-6/h3-4H,1-2,5H2,(H2,12,14).
What are the key properties of 5-(3,3,3-trifluoropropoxymethyl)pyrazin-2-amine?
5-(3,3,3-trifluoropropoxymethyl)pyrazin-2-amine has a molecular weight of 221.18 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoropropoxymethyl)pyrazin-2-amine is sourced from PubChem (CID 103059390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).