3-(3-chlorothiophen-2-yl)-4-propyl-1,2,4-triazole

C9H10ClN3S — CID 115395141

IUPAC3-(3-chlorothiophen-2-yl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1-c1sccc1Cl
InChIInChI=1S/C9H10ClN3S/c1-2-4-13-6-11-12-9(13)8-7(10)3-5-14-8/h3,5-6H,2,4H2,1H3
InChIKeyQTVNZTGTVWVLQP-UHFFFAOYSA-N
MW227.72 g/mol
LogP3.07
Rot. Bonds3

About 3-(3-chlorothiophen-2-yl)-4-propyl-1,2,4-triazole

3-(3-chlorothiophen-2-yl)-4-propyl-1,2,4-triazole (PubChem CID 115395141) has the molecular formula C9H10ClN3S and a molecular weight of 227.72 g/mol. Its IUPAC name is 3-(3-chlorothiophen-2-yl)-4-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-chlorothiophen-2-yl)-4-propyl-1,2,4-triazole
PubChem CID115395141
Molecular FormulaC9H10ClN3S
Molecular Weight227.72 g/mol
Exact Mass227.03
IUPAC Name3-(3-chlorothiophen-2-yl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1-c1sccc1Cl
InChIInChI=1S/C9H10ClN3S/c1-2-4-13-6-11-12-9(13)8-7(10)3-5-14-8/h3,5-6H,2,4H2,1H3
InChIKeyQTVNZTGTVWVLQP-UHFFFAOYSA-N
XLogP3.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorothiophen-2-yl)-4-propyl-1,2,4-triazole?
The IUPAC name of 3-(3-chlorothiophen-2-yl)-4-propyl-1,2,4-triazole (CID 115395141) is 3-(3-chlorothiophen-2-yl)-4-propyl-1,2,4-triazole.
What is the SMILES notation for 3-(3-chlorothiophen-2-yl)-4-propyl-1,2,4-triazole?
The canonical SMILES for 3-(3-chlorothiophen-2-yl)-4-propyl-1,2,4-triazole is CCCn1cnnc1-c1sccc1Cl.
What is the InChIKey of 3-(3-chlorothiophen-2-yl)-4-propyl-1,2,4-triazole?
The InChIKey is QTVNZTGTVWVLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3S/c1-2-4-13-6-11-12-9(13)8-7(10)3-5-14-8/h3,5-6H,2,4H2,1H3.
What are the key properties of 3-(3-chlorothiophen-2-yl)-4-propyl-1,2,4-triazole?
3-(3-chlorothiophen-2-yl)-4-propyl-1,2,4-triazole has a molecular weight of 227.72 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorothiophen-2-yl)-4-propyl-1,2,4-triazole is sourced from PubChem (CID 115395141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).