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

C8H5ClF3N5 — CID 167430037

IUPAC2-chloro-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine
SMILESFC(F)(F)Cn1cnc(-c2nccnc2Cl)n1
InChIInChI=1S/C8H5ClF3N5/c9-6-5(13-1-2-14-6)7-15-4-17(16-7)3-8(10,11)12/h1-2,4H,3H2
InChIKeyPNFCWPOXIJFTMH-UHFFFAOYSA-N
MW263.61 g/mol
LogP1.95
Rot. Bonds2

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

2-chloro-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine (PubChem CID 167430037) has the molecular formula C8H5ClF3N5 and a molecular weight of 263.61 g/mol. Its IUPAC name is 2-chloro-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine
PubChem CID167430037
Molecular FormulaC8H5ClF3N5
Molecular Weight263.61 g/mol
Exact Mass263.02
IUPAC Name2-chloro-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine
SMILESFC(F)(F)Cn1cnc(-c2nccnc2Cl)n1
InChIInChI=1S/C8H5ClF3N5/c9-6-5(13-1-2-14-6)7-15-4-17(16-7)3-8(10,11)12/h1-2,4H,3H2
InChIKeyPNFCWPOXIJFTMH-UHFFFAOYSA-N
XLogP1.95
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.61
LogP ≤ 51.95
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-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-chloro-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine (CID 167430037) is 2-chloro-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-chloro-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-chloro-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine is FC(F)(F)Cn1cnc(-c2nccnc2Cl)n1.
What is the InChIKey of 2-chloro-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is PNFCWPOXIJFTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N5/c9-6-5(13-1-2-14-6)7-15-4-17(16-7)3-8(10,11)12/h1-2,4H,3H2.
What are the key properties of 2-chloro-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine?
2-chloro-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 263.61 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 167430037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).