1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole

C8H13N3O — CID 65165120

IUPAC1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole
SMILESc1ncn(CCC2CCCO2)n1
InChIInChI=1S/C8H13N3O/c1-2-8(12-5-1)3-4-11-7-9-6-10-11/h6-8H,1-5H2
InChIKeyWVZDWMHJAJVJJV-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.85
Rot. Bonds3

About 1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole

1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole (PubChem CID 65165120) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole
PubChem CID65165120
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole
SMILESc1ncn(CCC2CCCO2)n1
InChIInChI=1S/C8H13N3O/c1-2-8(12-5-1)3-4-11-7-9-6-10-11/h6-8H,1-5H2
InChIKeyWVZDWMHJAJVJJV-UHFFFAOYSA-N
XLogP0.85
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(oxolan-2-yl)ethyl]pyrazol-3-amine
CID 65161520
4-(chloromethyl)-1-[2-(oxolan-2-yl)ethyl]pyrazole
CID 65165440
1-[[(2S)-oxolan-2-yl]methyl]-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea
CID 94148919
[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine
CID 65165798
1-[2-(oxolan-2-yl)ethyl]-4-phenylpyrazole
CID 119034768
1-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 143132022
N-methyl-1-[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine
CID 65165187
1-[[(2S)-oxiran-2-yl]methyl]-1,2,4-triazole
CID 42281468
[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol
CID 65166429
methyl 3-[oxolan-2-ylmethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate
CID 78964017
1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 114705093
4-[2-(oxolan-2-yl)ethyl]morpholine
CID 130172160

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole?
The IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole (CID 65165120) is 1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole.
What is the SMILES notation for 1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole?
The canonical SMILES for 1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole is c1ncn(CCC2CCCO2)n1.
What is the InChIKey of 1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole?
The InChIKey is WVZDWMHJAJVJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-8(12-5-1)3-4-11-7-9-6-10-11/h6-8H,1-5H2.
What are the key properties of 1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole?
1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole has a molecular weight of 167.21 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole is sourced from PubChem (CID 65165120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).