4-(5-bromothiophen-2-yl)-1-propyltriazole

C9H10BrN3S — CID 135305771

IUPAC4-(5-bromothiophen-2-yl)-1-propyltriazole
SMILESCCCn1cc(-c2ccc(Br)s2)nn1
InChIInChI=1S/C9H10BrN3S/c1-2-5-13-6-7(11-12-13)8-3-4-9(10)14-8/h3-4,6H,2,5H2,1H3
InChIKeyHYZWEDUHEQHZBX-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.18
Rot. Bonds3

About 4-(5-bromothiophen-2-yl)-1-propyltriazole

4-(5-bromothiophen-2-yl)-1-propyltriazole (PubChem CID 135305771) has the molecular formula C9H10BrN3S and a molecular weight of 272.17 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-1-propyltriazole.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-1-propyltriazole
PubChem CID135305771
Molecular FormulaC9H10BrN3S
Molecular Weight272.17 g/mol
Exact Mass270.98
IUPAC Name4-(5-bromothiophen-2-yl)-1-propyltriazole
SMILESCCCn1cc(-c2ccc(Br)s2)nn1
InChIInChI=1S/C9H10BrN3S/c1-2-5-13-6-7(11-12-13)8-3-4-9(10)14-8/h3-4,6H,2,5H2,1H3
InChIKeyHYZWEDUHEQHZBX-UHFFFAOYSA-N
XLogP3.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-4-(thiophen-2-yl)-1H-1,2,3-triazole
CID 90410677
1-(3-Methylcyclopentyl)-4-thiophen-2-yltriazole
CID 126836996
5-(5-Bromo-4-chlorothiophen-2-yl)-1-(2,2,2-trifluoroethyl)triazole
CID 172773128
1-Butyl-4-thiophen-2-yltriazole
CID 132072830
1-[(4-Bromophenyl)methyl]-4-thiophen-2-yltriazole
CID 134862715
4-Thiophen-3-yl-1-undecyltriazole
CID 178341498
4-Thiophen-2-yl-1-undecyltriazole
CID 178341504
1-[(2-Bromophenyl)methyl]-4-thiophen-3-yltriazole
CID 49851046
2-(5-Bromothiophen-2-yl)pyrazine
CID 18791074
1-Tert-butyl-4-thiophen-3-yltriazole
CID 57624551
1-Benzyl-4-(5-methylthiophen-2-yl)triazole
CID 57645425
1-Benzyl-4-(3,5-dimethylthiophen-2-yl)triazole
CID 58458849

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-1-propyltriazole?
The IUPAC name of 4-(5-bromothiophen-2-yl)-1-propyltriazole (CID 135305771) is 4-(5-bromothiophen-2-yl)-1-propyltriazole.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-1-propyltriazole?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-1-propyltriazole is CCCn1cc(-c2ccc(Br)s2)nn1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-1-propyltriazole?
The InChIKey is HYZWEDUHEQHZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3S/c1-2-5-13-6-7(11-12-13)8-3-4-9(10)14-8/h3-4,6H,2,5H2,1H3.
What are the key properties of 4-(5-bromothiophen-2-yl)-1-propyltriazole?
4-(5-bromothiophen-2-yl)-1-propyltriazole has a molecular weight of 272.17 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-1-propyltriazole is sourced from PubChem (CID 135305771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).