3-methoxy-5-(trifluoromethyl)pyrazin-2-amine

C6H6F3N3O — CID 130116244

IUPAC3-methoxy-5-(trifluoromethyl)pyrazin-2-amine
SMILESCOc1nc(C(F)(F)F)cnc1N
InChIInChI=1S/C6H6F3N3O/c1-13-5-4(10)11-2-3(12-5)6(7,8)9/h2H,1H3,(H2,10,11)
InChIKeyADSWHJFNPLPWBR-UHFFFAOYSA-N
MW193.13 g/mol
LogP1.09
Rot. Bonds1

About 3-methoxy-5-(trifluoromethyl)pyrazin-2-amine

3-methoxy-5-(trifluoromethyl)pyrazin-2-amine (PubChem CID 130116244) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 3-methoxy-5-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-methoxy-5-(trifluoromethyl)pyrazin-2-amine
PubChem CID130116244
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name3-methoxy-5-(trifluoromethyl)pyrazin-2-amine
SMILESCOc1nc(C(F)(F)F)cnc1N
InChIInChI=1S/C6H6F3N3O/c1-13-5-4(10)11-2-3(12-5)6(7,8)9/h2H,1H3,(H2,10,11)
InChIKeyADSWHJFNPLPWBR-UHFFFAOYSA-N
XLogP1.09
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 3-methoxy-5-(trifluoromethyl)pyrazin-2-amine (CID 130116244) is 3-methoxy-5-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 3-methoxy-5-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 3-methoxy-5-(trifluoromethyl)pyrazin-2-amine is COc1nc(C(F)(F)F)cnc1N.
What is the InChIKey of 3-methoxy-5-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is ADSWHJFNPLPWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c1-13-5-4(10)11-2-3(12-5)6(7,8)9/h2H,1H3,(H2,10,11).
What are the key properties of 3-methoxy-5-(trifluoromethyl)pyrazin-2-amine?
3-methoxy-5-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 193.13 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 130116244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).