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

C11H4Cl2F2N4 — CID 82771314

IUPAC8-chloro-3-(4-chloro-2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cc(-c2nnc3c(Cl)nccn23)c(F)cc1Cl
InChIInChI=1S/C11H4Cl2F2N4/c12-6-4-7(14)5(3-8(6)15)10-17-18-11-9(13)16-1-2-19(10)11/h1-4H
InChIKeyQAQLTVWAQBXNAL-UHFFFAOYSA-N
MW301.08 g/mol
LogP3.38
Rot. Bonds1

About 8-chloro-3-(4-chloro-2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine

8-chloro-3-(4-chloro-2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 82771314) has the molecular formula C11H4Cl2F2N4 and a molecular weight of 301.08 g/mol. Its IUPAC name is 8-chloro-3-(4-chloro-2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-(4-chloro-2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID82771314
Molecular FormulaC11H4Cl2F2N4
Molecular Weight301.08 g/mol
Exact Mass299.98
IUPAC Name8-chloro-3-(4-chloro-2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cc(-c2nnc3c(Cl)nccn23)c(F)cc1Cl
InChIInChI=1S/C11H4Cl2F2N4/c12-6-4-7(14)5(3-8(6)15)10-17-18-11-9(13)16-1-2-19(10)11/h1-4H
InChIKeyQAQLTVWAQBXNAL-UHFFFAOYSA-N
XLogP3.38
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.08
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(4-chloro-2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-chloro-3-(4-chloro-2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 82771314) is 8-chloro-3-(4-chloro-2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-chloro-3-(4-chloro-2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-chloro-3-(4-chloro-2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine is Fc1cc(-c2nnc3c(Cl)nccn23)c(F)cc1Cl.
What is the InChIKey of 8-chloro-3-(4-chloro-2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is QAQLTVWAQBXNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl2F2N4/c12-6-4-7(14)5(3-8(6)15)10-17-18-11-9(13)16-1-2-19(10)11/h1-4H.
What are the key properties of 8-chloro-3-(4-chloro-2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-chloro-3-(4-chloro-2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 301.08 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(4-chloro-2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 82771314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).