2-chloro-3-[1-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine

C8H5ClF3N5 — CID 175555887

IUPAC2-chloro-3-[1-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine
SMILESFC(F)C(F)n1cnc(-c2nccnc2Cl)n1
InChIInChI=1S/C8H5ClF3N5/c9-5-4(13-1-2-14-5)8-15-3-17(16-8)7(12)6(10)11/h1-3,6-7H
InChIKeyLWTSIVFLYYCMDG-UHFFFAOYSA-N
MW263.61 g/mol
LogP2.12
Rot. Bonds3

About 2-chloro-3-[1-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine

2-chloro-3-[1-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine (PubChem CID 175555887) has the molecular formula C8H5ClF3N5 and a molecular weight of 263.61 g/mol. Its IUPAC name is 2-chloro-3-[1-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-3-[1-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine
PubChem CID175555887
Molecular FormulaC8H5ClF3N5
Molecular Weight263.61 g/mol
Exact Mass263.02
IUPAC Name2-chloro-3-[1-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine
SMILESFC(F)C(F)n1cnc(-c2nccnc2Cl)n1
InChIInChI=1S/C8H5ClF3N5/c9-5-4(13-1-2-14-5)8-15-3-17(16-8)7(12)6(10)11/h1-3,6-7H
InChIKeyLWTSIVFLYYCMDG-UHFFFAOYSA-N
XLogP2.12
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.61
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[1-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-chloro-3-[1-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine (CID 175555887) is 2-chloro-3-[1-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-chloro-3-[1-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-chloro-3-[1-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine is FC(F)C(F)n1cnc(-c2nccnc2Cl)n1.
What is the InChIKey of 2-chloro-3-[1-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is LWTSIVFLYYCMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N5/c9-5-4(13-1-2-14-5)8-15-3-17(16-8)7(12)6(10)11/h1-3,6-7H.
What are the key properties of 2-chloro-3-[1-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine?
2-chloro-3-[1-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 263.61 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[1-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 175555887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).