3-(3-bromothiophen-2-yl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine

C9H4BrClN4S — CID 63796223

IUPAC3-(3-bromothiophen-2-yl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(-c3sccc3Br)n2n1
InChIInChI=1S/C9H4BrClN4S/c10-5-3-4-16-8(5)9-13-12-7-2-1-6(11)14-15(7)9/h1-4H
InChIKeyOTMXHVQEWYVFCF-UHFFFAOYSA-N
MW315.58 g/mol
LogP3.27
Rot. Bonds1

About 3-(3-bromothiophen-2-yl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine

3-(3-bromothiophen-2-yl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 63796223) has the molecular formula C9H4BrClN4S and a molecular weight of 315.58 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID63796223
Molecular FormulaC9H4BrClN4S
Molecular Weight315.58 g/mol
Exact Mass313.90
IUPAC Name3-(3-bromothiophen-2-yl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(-c3sccc3Br)n2n1
InChIInChI=1S/C9H4BrClN4S/c10-5-3-4-16-8(5)9-13-12-7-2-1-6(11)14-15(7)9/h1-4H
InChIKeyOTMXHVQEWYVFCF-UHFFFAOYSA-N
XLogP3.27
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.58
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 63800696
6-chloro-3-(2,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 43327057
3-(3-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 55239175
6-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 66128201
6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 43144392
6-chloro-3-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 43144377
6-chloro-3-(2,6-difluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 82815259
6-chloro-3-(5-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 55144796
2-(3-bromothiophen-2-yl)-4-chloro-6-methylpyrimidine
CID 115380799
6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 43327050
6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 14467852
6-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 39732405

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromothiophen-2-yl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(3-bromothiophen-2-yl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine (CID 63796223) is 3-(3-bromothiophen-2-yl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(3-bromothiophen-2-yl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine is Clc1ccc2nnc(-c3sccc3Br)n2n1.
What is the InChIKey of 3-(3-bromothiophen-2-yl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is OTMXHVQEWYVFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClN4S/c10-5-3-4-16-8(5)9-13-12-7-2-1-6(11)14-15(7)9/h1-4H.
What are the key properties of 3-(3-bromothiophen-2-yl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine?
3-(3-bromothiophen-2-yl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 315.58 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromothiophen-2-yl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 63796223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).