5-(oxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole

C10H11N3OS — CID 62733388

IUPAC5-(oxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole
SMILESc1csc(-c2n[nH]c(C3CCCO3)n2)c1
InChIInChI=1S/C10H11N3OS/c1-3-7(14-5-1)9-11-10(13-12-9)8-4-2-6-15-8/h2,4,6-7H,1,3,5H2,(H,11,12,13)
InChIKeyOCGHUMIBDYFBJC-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.38
Rot. Bonds2

About 5-(oxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole

5-(oxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole (PubChem CID 62733388) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-(oxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(oxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole
PubChem CID62733388
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name5-(oxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole
SMILESc1csc(-c2n[nH]c(C3CCCO3)n2)c1
InChIInChI=1S/C10H11N3OS/c1-3-7(14-5-1)9-11-10(13-12-9)8-4-2-6-15-8/h2,4,6-7H,1,3,5H2,(H,11,12,13)
InChIKeyOCGHUMIBDYFBJC-UHFFFAOYSA-N
XLogP2.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole?
The IUPAC name of 5-(oxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole (CID 62733388) is 5-(oxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(oxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-(oxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole is c1csc(-c2n[nH]c(C3CCCO3)n2)c1.
What is the InChIKey of 5-(oxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole?
The InChIKey is OCGHUMIBDYFBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-3-7(14-5-1)9-11-10(13-12-9)8-4-2-6-15-8/h2,4,6-7H,1,3,5H2,(H,11,12,13).
What are the key properties of 5-(oxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole?
5-(oxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole has a molecular weight of 221.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 62733388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).