5-chloro-3-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine

C11H4ClF3N4 — CID 81440573

IUPAC5-chloro-3-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cc(-c2nnc3cncc(Cl)n23)cc(F)c1F
InChIInChI=1S/C11H4ClF3N4/c12-8-3-16-4-9-17-18-11(19(8)9)5-1-6(13)10(15)7(14)2-5/h1-4H
InChIKeyHEUIESQSEZMJNQ-UHFFFAOYSA-N
MW284.63 g/mol
LogP2.86
Rot. Bonds1

About 5-chloro-3-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine

5-chloro-3-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 81440573) has the molecular formula C11H4ClF3N4 and a molecular weight of 284.63 g/mol. Its IUPAC name is 5-chloro-3-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name5-chloro-3-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID81440573
Molecular FormulaC11H4ClF3N4
Molecular Weight284.63 g/mol
Exact Mass284.01
IUPAC Name5-chloro-3-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cc(-c2nnc3cncc(Cl)n23)cc(F)c1F
InChIInChI=1S/C11H4ClF3N4/c12-8-3-16-4-9-17-18-11(19(8)9)5-1-6(13)10(15)7(14)2-5/h1-4H
InChIKeyHEUIESQSEZMJNQ-UHFFFAOYSA-N
XLogP2.86
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.63
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 5-chloro-3-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 81440573) is 5-chloro-3-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 5-chloro-3-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 5-chloro-3-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine is Fc1cc(-c2nnc3cncc(Cl)n23)cc(F)c1F.
What is the InChIKey of 5-chloro-3-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is HEUIESQSEZMJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClF3N4/c12-8-3-16-4-9-17-18-11(19(8)9)5-1-6(13)10(15)7(14)2-5/h1-4H.
What are the key properties of 5-chloro-3-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine?
5-chloro-3-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 284.63 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 81440573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).