1-(5-chlorothiophen-2-yl)triazole

C6H4ClN3S — CID 123441468

IUPAC1-(5-chlorothiophen-2-yl)triazole
SMILESClc1ccc(-n2ccnn2)s1
InChIInChI=1S/C6H4ClN3S/c7-5-1-2-6(11-5)10-4-3-8-9-10/h1-4H
InChIKeyAQHOKXOJLJKFMH-UHFFFAOYSA-N
MW185.64 g/mol
LogP1.98
Rot. Bonds1

About 1-(5-chlorothiophen-2-yl)triazole

1-(5-chlorothiophen-2-yl)triazole (PubChem CID 123441468) has the molecular formula C6H4ClN3S and a molecular weight of 185.64 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)triazole.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)triazole
PubChem CID123441468
Molecular FormulaC6H4ClN3S
Molecular Weight185.64 g/mol
Exact Mass184.98
IUPAC Name1-(5-chlorothiophen-2-yl)triazole
SMILESClc1ccc(-n2ccnn2)s1
InChIInChI=1S/C6H4ClN3S/c7-5-1-2-6(11-5)10-4-3-8-9-10/h1-4H
InChIKeyAQHOKXOJLJKFMH-UHFFFAOYSA-N
XLogP1.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.64
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Thiophen-2-yltriazole
CID 12454080
1-(4-Methylthiophen-2-yl)triazole
CID 20373982
[3-(5-Chlorothiophen-2-yl)triazol-4-yl]methanamine
CID 83640128
4-bromo-1-(thiophen-2-yl)-1H-1,2,3-triazole
CID 172993547

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)triazole?
The IUPAC name of 1-(5-chlorothiophen-2-yl)triazole (CID 123441468) is 1-(5-chlorothiophen-2-yl)triazole.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)triazole?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)triazole is Clc1ccc(-n2ccnn2)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)triazole?
The InChIKey is AQHOKXOJLJKFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3S/c7-5-1-2-6(11-5)10-4-3-8-9-10/h1-4H.
What are the key properties of 1-(5-chlorothiophen-2-yl)triazole?
1-(5-chlorothiophen-2-yl)triazole has a molecular weight of 185.64 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)triazole is sourced from PubChem (CID 123441468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).