5-propyl-3-thiophen-3-yl-1H-1,2,4-triazole

C9H11N3S — CID 61338670

IUPAC5-propyl-3-thiophen-3-yl-1H-1,2,4-triazole
SMILESCCCc1nc(-c2ccsc2)n[nH]1
InChIInChI=1S/C9H11N3S/c1-2-3-8-10-9(12-11-8)7-4-5-13-6-7/h4-6H,2-3H2,1H3,(H,10,11,12)
InChIKeyHWTZJQUUDMPVGO-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.49
Rot. Bonds3

About 5-propyl-3-thiophen-3-yl-1H-1,2,4-triazole

5-propyl-3-thiophen-3-yl-1H-1,2,4-triazole (PubChem CID 61338670) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 5-propyl-3-thiophen-3-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-propyl-3-thiophen-3-yl-1H-1,2,4-triazole
PubChem CID61338670
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name5-propyl-3-thiophen-3-yl-1H-1,2,4-triazole
SMILESCCCc1nc(-c2ccsc2)n[nH]1
InChIInChI=1S/C9H11N3S/c1-2-3-8-10-9(12-11-8)7-4-5-13-6-7/h4-6H,2-3H2,1H3,(H,10,11,12)
InChIKeyHWTZJQUUDMPVGO-UHFFFAOYSA-N
XLogP2.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-3-thiophen-3-yl-1H-1,2,4-triazole?
The IUPAC name of 5-propyl-3-thiophen-3-yl-1H-1,2,4-triazole (CID 61338670) is 5-propyl-3-thiophen-3-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-propyl-3-thiophen-3-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-propyl-3-thiophen-3-yl-1H-1,2,4-triazole is CCCc1nc(-c2ccsc2)n[nH]1.
What is the InChIKey of 5-propyl-3-thiophen-3-yl-1H-1,2,4-triazole?
The InChIKey is HWTZJQUUDMPVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-2-3-8-10-9(12-11-8)7-4-5-13-6-7/h4-6H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 5-propyl-3-thiophen-3-yl-1H-1,2,4-triazole?
5-propyl-3-thiophen-3-yl-1H-1,2,4-triazole has a molecular weight of 193.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3-thiophen-3-yl-1H-1,2,4-triazole is sourced from PubChem (CID 61338670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).