8-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

C6H2ClF3N4 — CID 10220126

IUPAC8-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1nnc2c(Cl)nccn12
InChIInChI=1S/C6H2ClF3N4/c7-3-4-12-13-5(6(8,9)10)14(4)2-1-11-3/h1-2H
InChIKeyMTJVSFDBHKNNPB-UHFFFAOYSA-N
MW222.56 g/mol
LogP1.80
Rot. Bonds

About 8-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

8-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 10220126) has the molecular formula C6H2ClF3N4 and a molecular weight of 222.56 g/mol. Its IUPAC name is 8-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID10220126
Molecular FormulaC6H2ClF3N4
Molecular Weight222.56 g/mol
Exact Mass221.99
IUPAC Name8-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1nnc2c(Cl)nccn12
InChIInChI=1S/C6H2ClF3N4/c7-3-4-12-13-5(6(8,9)10)14(4)2-1-11-3/h1-2H
InChIKeyMTJVSFDBHKNNPB-UHFFFAOYSA-N
XLogP1.80
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.56
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 10220126) is 8-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is FC(F)(F)c1nnc2c(Cl)nccn12.
What is the InChIKey of 8-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is MTJVSFDBHKNNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3N4/c7-3-4-12-13-5(6(8,9)10)14(4)2-1-11-3/h1-2H.
What are the key properties of 8-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 222.56 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 10220126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).