1-[(3-ethyloxetan-3-yl)methyl]-1,2,4-triazole

C8H13N3O — CID 156563823

IUPAC1-[(3-ethyloxetan-3-yl)methyl]-1,2,4-triazole
SMILESCCC1(Cn2cncn2)COC1
InChIInChI=1S/C8H13N3O/c1-2-8(4-12-5-8)3-11-7-9-6-10-11/h6-7H,2-5H2,1H3
InChIKeyUVOXPSNQECUZSL-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.70
Rot. Bonds3

About 1-[(3-ethyloxetan-3-yl)methyl]-1,2,4-triazole

1-[(3-ethyloxetan-3-yl)methyl]-1,2,4-triazole (PubChem CID 156563823) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-[(3-ethyloxetan-3-yl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[(3-ethyloxetan-3-yl)methyl]-1,2,4-triazole
PubChem CID156563823
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-[(3-ethyloxetan-3-yl)methyl]-1,2,4-triazole
SMILESCCC1(Cn2cncn2)COC1
InChIInChI=1S/C8H13N3O/c1-2-8(4-12-5-8)3-11-7-9-6-10-11/h6-7H,2-5H2,1H3
InChIKeyUVOXPSNQECUZSL-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyloxetan-3-yl)methyl]-1,2,4-triazole?
The IUPAC name of 1-[(3-ethyloxetan-3-yl)methyl]-1,2,4-triazole (CID 156563823) is 1-[(3-ethyloxetan-3-yl)methyl]-1,2,4-triazole.
What is the SMILES notation for 1-[(3-ethyloxetan-3-yl)methyl]-1,2,4-triazole?
The canonical SMILES for 1-[(3-ethyloxetan-3-yl)methyl]-1,2,4-triazole is CCC1(Cn2cncn2)COC1.
What is the InChIKey of 1-[(3-ethyloxetan-3-yl)methyl]-1,2,4-triazole?
The InChIKey is UVOXPSNQECUZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-8(4-12-5-8)3-11-7-9-6-10-11/h6-7H,2-5H2,1H3.
What are the key properties of 1-[(3-ethyloxetan-3-yl)methyl]-1,2,4-triazole?
1-[(3-ethyloxetan-3-yl)methyl]-1,2,4-triazole has a molecular weight of 167.21 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyloxetan-3-yl)methyl]-1,2,4-triazole is sourced from PubChem (CID 156563823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).