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

C8H6F3N5 — CID 160890339

IUPAC2-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine
SMILESCc1cnc(-c2n[nH]c(C(F)(F)F)n2)cn1
InChIInChI=1S/C8H6F3N5/c1-4-2-13-5(3-12-4)6-14-7(16-15-6)8(9,10)11/h2-3H,1H3,(H,14,15,16)
InChIKeyMAJRDIKFJSYNEU-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.59
Rot. Bonds1

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

2-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine (PubChem CID 160890339) has the molecular formula C8H6F3N5 and a molecular weight of 229.16 g/mol. Its IUPAC name is 2-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine
PubChem CID160890339
Molecular FormulaC8H6F3N5
Molecular Weight229.16 g/mol
Exact Mass229.06
IUPAC Name2-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine
SMILESCc1cnc(-c2n[nH]c(C(F)(F)F)n2)cn1
InChIInChI=1S/C8H6F3N5/c1-4-2-13-5(3-12-4)6-14-7(16-15-6)8(9,10)11/h2-3H,1H3,(H,14,15,16)
InChIKeyMAJRDIKFJSYNEU-UHFFFAOYSA-N
XLogP1.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine (CID 160890339) is 2-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine is Cc1cnc(-c2n[nH]c(C(F)(F)F)n2)cn1.
What is the InChIKey of 2-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is MAJRDIKFJSYNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5/c1-4-2-13-5(3-12-4)6-14-7(16-15-6)8(9,10)11/h2-3H,1H3,(H,14,15,16).
What are the key properties of 2-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine?
2-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 229.16 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 160890339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).