4-[2-(oxolan-2-ylmethoxy)ethylsulfanyl]-2H-triazole

C9H15N3O2S — CID 75495099

IUPAC4-[2-(oxolan-2-ylmethoxy)ethylsulfanyl]-2H-triazole
SMILESc1n[nH]nc1SCCOCC1CCCO1
InChIInChI=1S/C9H15N3O2S/c1-2-8(14-3-1)7-13-4-5-15-9-6-10-12-11-9/h6,8H,1-5,7H2,(H,10,11,12)
InChIKeyLAEHVBDRKKWRJX-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.09
Rot. Bonds6

About 4-[2-(oxolan-2-ylmethoxy)ethylsulfanyl]-2H-triazole

4-[2-(oxolan-2-ylmethoxy)ethylsulfanyl]-2H-triazole (PubChem CID 75495099) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-[2-(oxolan-2-ylmethoxy)ethylsulfanyl]-2H-triazole.

Molecular Properties

Compound Name4-[2-(oxolan-2-ylmethoxy)ethylsulfanyl]-2H-triazole
PubChem CID75495099
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name4-[2-(oxolan-2-ylmethoxy)ethylsulfanyl]-2H-triazole
SMILESc1n[nH]nc1SCCOCC1CCCO1
InChIInChI=1S/C9H15N3O2S/c1-2-8(14-3-1)7-13-4-5-15-9-6-10-12-11-9/h6,8H,1-5,7H2,(H,10,11,12)
InChIKeyLAEHVBDRKKWRJX-UHFFFAOYSA-N
XLogP1.09
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium
CID 7219875
4-[4-(2H-triazol-4-ylsulfanyl)butylsulfanyl]-2H-triazole
CID 20793647
trimethyl-[methyl-[3-(oxolan-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilane
CID 70660259
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
2-[2-(2-methoxyethoxy)ethoxymethyl]oxolane
CID 157159519
4,6-dimethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine
CID 133315058
3-(oxolan-2-ylmethoxy)-N-(pyrimidin-5-ylmethyl)propan-1-amine
CID 62760624
trimethyl-[methyl-[3-[3-(oxolan-2-ylmethoxy)propoxy]propyl]-trimethylsilyloxysilyl]oxysilane
CID 70660178
1-(oxolan-2-yl)-N-(2H-triazol-4-ylmethyl)methanamine
CID 61318522
4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidine
CID 26192445
[(2S)-oxolan-2-yl]methoxymethanamine
CID 126553312
3,4-dimethoxy-2-[2-(oxolan-2-ylmethoxy)ethylsulfanylmethyl]pyridine
CID 154862410

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxolan-2-ylmethoxy)ethylsulfanyl]-2H-triazole?
The IUPAC name of 4-[2-(oxolan-2-ylmethoxy)ethylsulfanyl]-2H-triazole (CID 75495099) is 4-[2-(oxolan-2-ylmethoxy)ethylsulfanyl]-2H-triazole.
What is the SMILES notation for 4-[2-(oxolan-2-ylmethoxy)ethylsulfanyl]-2H-triazole?
The canonical SMILES for 4-[2-(oxolan-2-ylmethoxy)ethylsulfanyl]-2H-triazole is c1n[nH]nc1SCCOCC1CCCO1.
What is the InChIKey of 4-[2-(oxolan-2-ylmethoxy)ethylsulfanyl]-2H-triazole?
The InChIKey is LAEHVBDRKKWRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-2-8(14-3-1)7-13-4-5-15-9-6-10-12-11-9/h6,8H,1-5,7H2,(H,10,11,12).
What are the key properties of 4-[2-(oxolan-2-ylmethoxy)ethylsulfanyl]-2H-triazole?
4-[2-(oxolan-2-ylmethoxy)ethylsulfanyl]-2H-triazole has a molecular weight of 229.30 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxolan-2-ylmethoxy)ethylsulfanyl]-2H-triazole is sourced from PubChem (CID 75495099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).