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

C9H3Br2ClN4S — CID 80537687

IUPAC8-chloro-3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1nccn2c(-c3cc(Br)c(Br)s3)nnc12
InChIInChI=1S/C9H3Br2ClN4S/c10-4-3-5(17-6(4)11)8-14-15-9-7(12)13-1-2-16(8)9/h1-3H
InChIKeyMOTIVYQMYCITSC-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.03
Rot. Bonds1

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

8-chloro-3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 80537687) has the molecular formula C9H3Br2ClN4S and a molecular weight of 394.48 g/mol. Its IUPAC name is 8-chloro-3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID80537687
Molecular FormulaC9H3Br2ClN4S
Molecular Weight394.48 g/mol
Exact Mass391.81
IUPAC Name8-chloro-3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1nccn2c(-c3cc(Br)c(Br)s3)nnc12
InChIInChI=1S/C9H3Br2ClN4S/c10-4-3-5(17-6(4)11)8-14-15-9-7(12)13-1-2-16(8)9/h1-3H
InChIKeyMOTIVYQMYCITSC-UHFFFAOYSA-N
XLogP4.03
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-chloro-3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 80537687) is 8-chloro-3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-chloro-3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-chloro-3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine is Clc1nccn2c(-c3cc(Br)c(Br)s3)nnc12.
What is the InChIKey of 8-chloro-3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is MOTIVYQMYCITSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Br2ClN4S/c10-4-3-5(17-6(4)11)8-14-15-9-7(12)13-1-2-16(8)9/h1-3H.
What are the key properties of 8-chloro-3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-chloro-3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 394.48 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 80537687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).