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

C12H15N3OS — CID 65155343

IUPAC5-[2-(oxolan-2-yl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole
SMILESc1csc(-c2n[nH]c(CCC3CCCO3)n2)c1
InChIInChI=1S/C12H15N3OS/c1-3-9(16-7-1)5-6-11-13-12(15-14-11)10-4-2-8-17-10/h2,4,8-9H,1,3,5-7H2,(H,13,14,15)
InChIKeyYPLWOFZGJKTPPP-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.64
Rot. Bonds4

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

5-[2-(oxolan-2-yl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole (PubChem CID 65155343) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-[2-(oxolan-2-yl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[2-(oxolan-2-yl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole
PubChem CID65155343
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name5-[2-(oxolan-2-yl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole
SMILESc1csc(-c2n[nH]c(CCC3CCCO3)n2)c1
InChIInChI=1S/C12H15N3OS/c1-3-9(16-7-1)5-6-11-13-12(15-14-11)10-4-2-8-17-10/h2,4,8-9H,1,3,5-7H2,(H,13,14,15)
InChIKeyYPLWOFZGJKTPPP-UHFFFAOYSA-N
XLogP2.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
CID 62734149
5-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1H-1,2,4-triazole
CID 65155851
N,N-dimethyl-1-[(2R)-4-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]morpholin-2-yl]methanamine
CID 97254354
3-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine
CID 62734713
3-[[(2R)-oxolan-2-yl]methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
CID 94192131
5-(2-ethoxyethyl)-3-thiophen-2-yl-1H-1,2,4-triazole
CID 62735263
5-(oxan-4-yl)-3-thiophen-2-yl-1H-1,2,4-triazole
CID 62906912
N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine
CID 62732833
2-methyl-N-[2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethyl]aniline
CID 62732462
5-cyclopropyl-3-thiophen-2-yl-1H-1,2,4-triazole
CID 61337137
2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)acetic acid
CID 62733596
3-[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine
CID 81046969

Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxolan-2-yl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole?
The IUPAC name of 5-[2-(oxolan-2-yl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole (CID 65155343) is 5-[2-(oxolan-2-yl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-[2-(oxolan-2-yl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-[2-(oxolan-2-yl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole is c1csc(-c2n[nH]c(CCC3CCCO3)n2)c1.
What is the InChIKey of 5-[2-(oxolan-2-yl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole?
The InChIKey is YPLWOFZGJKTPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-9(16-7-1)5-6-11-13-12(15-14-11)10-4-2-8-17-10/h2,4,8-9H,1,3,5-7H2,(H,13,14,15).
What are the key properties of 5-[2-(oxolan-2-yl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole?
5-[2-(oxolan-2-yl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole has a molecular weight of 249.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxolan-2-yl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 65155343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).