2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine

C7H4F3N5 — CID 66487036

IUPAC2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine
SMILESFC(F)(F)c1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C7H4F3N5/c8-7(9,10)6-13-5(14-15-6)4-3-11-1-2-12-4/h1-3H,(H,13,14,15)
InChIKeyJMDXRTJLAFKDGP-UHFFFAOYSA-N
MW215.14 g/mol
LogP1.28
Rot. Bonds1

About 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine

2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine (PubChem CID 66487036) has the molecular formula C7H4F3N5 and a molecular weight of 215.14 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine
PubChem CID66487036
Molecular FormulaC7H4F3N5
Molecular Weight215.14 g/mol
Exact Mass215.04
IUPAC Name2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine
SMILESFC(F)(F)c1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C7H4F3N5/c8-7(9,10)6-13-5(14-15-6)4-3-11-1-2-12-4/h1-3H,(H,13,14,15)
InChIKeyJMDXRTJLAFKDGP-UHFFFAOYSA-N
XLogP1.28
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.14
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine (CID 66487036) is 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine is FC(F)(F)c1nc(-c2cnccn2)n[nH]1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is JMDXRTJLAFKDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N5/c8-7(9,10)6-13-5(14-15-6)4-3-11-1-2-12-4/h1-3H,(H,13,14,15).
What are the key properties of 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine?
2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 215.14 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 66487036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).