4-(3-ethyloxetan-3-yl)-2H-triazole

C7H11N3O — CID 166715401

IUPAC4-(3-ethyloxetan-3-yl)-2H-triazole
SMILESCCC1(c2cn[nH]n2)COC1
InChIInChI=1S/C7H11N3O/c1-2-7(4-11-5-7)6-3-8-10-9-6/h3H,2,4-5H2,1H3,(H,8,9,10)
InChIKeyBWZCNKZRONSKDV-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.48
Rot. Bonds2

About 4-(3-ethyloxetan-3-yl)-2H-triazole

4-(3-ethyloxetan-3-yl)-2H-triazole (PubChem CID 166715401) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 4-(3-ethyloxetan-3-yl)-2H-triazole.

Molecular Properties

Compound Name4-(3-ethyloxetan-3-yl)-2H-triazole
PubChem CID166715401
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name4-(3-ethyloxetan-3-yl)-2H-triazole
SMILESCCC1(c2cn[nH]n2)COC1
InChIInChI=1S/C7H11N3O/c1-2-7(4-11-5-7)6-3-8-10-9-6/h3H,2,4-5H2,1H3,(H,8,9,10)
InChIKeyBWZCNKZRONSKDV-UHFFFAOYSA-N
XLogP0.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyloxetan-3-yl)-2H-triazole?
The IUPAC name of 4-(3-ethyloxetan-3-yl)-2H-triazole (CID 166715401) is 4-(3-ethyloxetan-3-yl)-2H-triazole.
What is the SMILES notation for 4-(3-ethyloxetan-3-yl)-2H-triazole?
The canonical SMILES for 4-(3-ethyloxetan-3-yl)-2H-triazole is CCC1(c2cn[nH]n2)COC1.
What is the InChIKey of 4-(3-ethyloxetan-3-yl)-2H-triazole?
The InChIKey is BWZCNKZRONSKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-7(4-11-5-7)6-3-8-10-9-6/h3H,2,4-5H2,1H3,(H,8,9,10).
What are the key properties of 4-(3-ethyloxetan-3-yl)-2H-triazole?
4-(3-ethyloxetan-3-yl)-2H-triazole has a molecular weight of 153.19 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyloxetan-3-yl)-2H-triazole is sourced from PubChem (CID 166715401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).