4-bromo-1-thiophen-3-yltriazole

C6H4BrN3S — CID 172992454

IUPAC4-bromo-1-thiophen-3-yltriazole
SMILESBrc1cn(-c2ccsc2)nn1
InChIInChI=1S/C6H4BrN3S/c7-6-3-10(9-8-6)5-1-2-11-4-5/h1-4H
InChIKeyGTQFNZNRWDGKPW-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.09
Rot. Bonds1

About 4-bromo-1-thiophen-3-yltriazole

4-bromo-1-thiophen-3-yltriazole (PubChem CID 172992454) has the molecular formula C6H4BrN3S and a molecular weight of 230.09 g/mol. Its IUPAC name is 4-bromo-1-thiophen-3-yltriazole.

Molecular Properties

Compound Name4-bromo-1-thiophen-3-yltriazole
PubChem CID172992454
Molecular FormulaC6H4BrN3S
Molecular Weight230.09 g/mol
Exact Mass228.93
IUPAC Name4-bromo-1-thiophen-3-yltriazole
SMILESBrc1cn(-c2ccsc2)nn1
InChIInChI=1S/C6H4BrN3S/c7-6-3-10(9-8-6)5-1-2-11-4-5/h1-4H
InChIKeyGTQFNZNRWDGKPW-UHFFFAOYSA-N
XLogP2.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Trimethyl-(1-thiophen-3-yltriazol-4-yl)silane
CID 10082339
1-Thiophen-2-yltriazole
CID 12454080
(1-Thiophen-3-yltriazol-4-yl)methanamine
CID 119106442
1-Thiophen-3-yltriazole
CID 12454078
[1-(thiophen-3-yl)-1H-1,2,3-triazol-4-yl]methanamine dihydrochloride
CID 119106441
2-(Triazol-1-yl)thiophen-3-amine
CID 129939458
4-bromo-1-(thiophen-2-yl)-1H-1,2,3-triazole
CID 172993547

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-thiophen-3-yltriazole?
The IUPAC name of 4-bromo-1-thiophen-3-yltriazole (CID 172992454) is 4-bromo-1-thiophen-3-yltriazole.
What is the SMILES notation for 4-bromo-1-thiophen-3-yltriazole?
The canonical SMILES for 4-bromo-1-thiophen-3-yltriazole is Brc1cn(-c2ccsc2)nn1.
What is the InChIKey of 4-bromo-1-thiophen-3-yltriazole?
The InChIKey is GTQFNZNRWDGKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3S/c7-6-3-10(9-8-6)5-1-2-11-4-5/h1-4H.
What are the key properties of 4-bromo-1-thiophen-3-yltriazole?
4-bromo-1-thiophen-3-yltriazole has a molecular weight of 230.09 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-thiophen-3-yltriazole is sourced from PubChem (CID 172992454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).