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

C7H3ClF4N4 — CID 79659917

IUPAC8-chloro-3-(1,1,2,2-tetrafluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)C(F)(F)c1nnc2c(Cl)nccn12
InChIInChI=1S/C7H3ClF4N4/c8-3-4-14-15-6(7(11,12)5(9)10)16(4)2-1-13-3/h1-2,5H
InChIKeyYRVHOUSHSGOUJD-UHFFFAOYSA-N
MW254.57 g/mol
LogP2.13
Rot. Bonds2

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

8-chloro-3-(1,1,2,2-tetrafluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 79659917) has the molecular formula C7H3ClF4N4 and a molecular weight of 254.57 g/mol. Its IUPAC name is 8-chloro-3-(1,1,2,2-tetrafluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-(1,1,2,2-tetrafluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID79659917
Molecular FormulaC7H3ClF4N4
Molecular Weight254.57 g/mol
Exact Mass254.00
IUPAC Name8-chloro-3-(1,1,2,2-tetrafluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)C(F)(F)c1nnc2c(Cl)nccn12
InChIInChI=1S/C7H3ClF4N4/c8-3-4-14-15-6(7(11,12)5(9)10)16(4)2-1-13-3/h1-2,5H
InChIKeyYRVHOUSHSGOUJD-UHFFFAOYSA-N
XLogP2.13
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.57
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(1,1,2,2-tetrafluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-chloro-3-(1,1,2,2-tetrafluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 79659917) is 8-chloro-3-(1,1,2,2-tetrafluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-chloro-3-(1,1,2,2-tetrafluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-chloro-3-(1,1,2,2-tetrafluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine is FC(F)C(F)(F)c1nnc2c(Cl)nccn12.
What is the InChIKey of 8-chloro-3-(1,1,2,2-tetrafluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is YRVHOUSHSGOUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF4N4/c8-3-4-14-15-6(7(11,12)5(9)10)16(4)2-1-13-3/h1-2,5H.
What are the key properties of 8-chloro-3-(1,1,2,2-tetrafluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-chloro-3-(1,1,2,2-tetrafluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 254.57 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(1,1,2,2-tetrafluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 79659917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).