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

C9H9N3S — CID 61337137

IUPAC5-cyclopropyl-3-thiophen-2-yl-1H-1,2,4-triazole
SMILESc1csc(-c2n[nH]c(C3CC3)n2)c1
InChIInChI=1S/C9H9N3S/c1-2-7(13-5-1)9-10-8(11-12-9)6-3-4-6/h1-2,5-6H,3-4H2,(H,10,11,12)
InChIKeyQJSLHVBCMMIXGK-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.41
Rot. Bonds2

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

5-cyclopropyl-3-thiophen-2-yl-1H-1,2,4-triazole (PubChem CID 61337137) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 5-cyclopropyl-3-thiophen-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopropyl-3-thiophen-2-yl-1H-1,2,4-triazole
PubChem CID61337137
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name5-cyclopropyl-3-thiophen-2-yl-1H-1,2,4-triazole
SMILESc1csc(-c2n[nH]c(C3CC3)n2)c1
InChIInChI=1S/C9H9N3S/c1-2-7(13-5-1)9-10-8(11-12-9)6-3-4-6/h1-2,5-6H,3-4H2,(H,10,11,12)
InChIKeyQJSLHVBCMMIXGK-UHFFFAOYSA-N
XLogP2.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-thiophen-2-yl-1H-1,2,4-triazole?
The IUPAC name of 5-cyclopropyl-3-thiophen-2-yl-1H-1,2,4-triazole (CID 61337137) is 5-cyclopropyl-3-thiophen-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclopropyl-3-thiophen-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclopropyl-3-thiophen-2-yl-1H-1,2,4-triazole is c1csc(-c2n[nH]c(C3CC3)n2)c1.
What is the InChIKey of 5-cyclopropyl-3-thiophen-2-yl-1H-1,2,4-triazole?
The InChIKey is QJSLHVBCMMIXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c1-2-7(13-5-1)9-10-8(11-12-9)6-3-4-6/h1-2,5-6H,3-4H2,(H,10,11,12).
What are the key properties of 5-cyclopropyl-3-thiophen-2-yl-1H-1,2,4-triazole?
5-cyclopropyl-3-thiophen-2-yl-1H-1,2,4-triazole has a molecular weight of 191.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-thiophen-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 61337137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).