5-ethynyl-N,N-dimethyl-3-(trifluoromethyl)pyrazin-2-amine

C9H8F3N3 — CID 141412652

IUPAC5-ethynyl-N,N-dimethyl-3-(trifluoromethyl)pyrazin-2-amine
SMILESC#Cc1cnc(N(C)C)c(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N3/c1-4-6-5-13-8(15(2)3)7(14-6)9(10,11)12/h1,5H,2-3H3
InChIKeyXFWMMVOUIHIUEW-UHFFFAOYSA-N
MW215.18 g/mol
LogP1.54
Rot. Bonds1

About 5-ethynyl-N,N-dimethyl-3-(trifluoromethyl)pyrazin-2-amine

5-ethynyl-N,N-dimethyl-3-(trifluoromethyl)pyrazin-2-amine (PubChem CID 141412652) has the molecular formula C9H8F3N3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 5-ethynyl-N,N-dimethyl-3-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-ethynyl-N,N-dimethyl-3-(trifluoromethyl)pyrazin-2-amine
PubChem CID141412652
Molecular FormulaC9H8F3N3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name5-ethynyl-N,N-dimethyl-3-(trifluoromethyl)pyrazin-2-amine
SMILESC#Cc1cnc(N(C)C)c(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N3/c1-4-6-5-13-8(15(2)3)7(14-6)9(10,11)12/h1,5H,2-3H3
InChIKeyXFWMMVOUIHIUEW-UHFFFAOYSA-N
XLogP1.54
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-N,N-dimethyl-3-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 5-ethynyl-N,N-dimethyl-3-(trifluoromethyl)pyrazin-2-amine (CID 141412652) is 5-ethynyl-N,N-dimethyl-3-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 5-ethynyl-N,N-dimethyl-3-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 5-ethynyl-N,N-dimethyl-3-(trifluoromethyl)pyrazin-2-amine is C#Cc1cnc(N(C)C)c(C(F)(F)F)n1.
What is the InChIKey of 5-ethynyl-N,N-dimethyl-3-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is XFWMMVOUIHIUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3/c1-4-6-5-13-8(15(2)3)7(14-6)9(10,11)12/h1,5H,2-3H3.
What are the key properties of 5-ethynyl-N,N-dimethyl-3-(trifluoromethyl)pyrazin-2-amine?
5-ethynyl-N,N-dimethyl-3-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 215.18 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-N,N-dimethyl-3-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 141412652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).