1-(2-cyclobutylethyl)triazole

C8H13N3 — CID 57182034

IUPAC1-(2-cyclobutylethyl)triazole
SMILESc1cn(CCC2CCC2)nn1
InChIInChI=1S/C8H13N3/c1-2-8(3-1)4-6-11-7-5-9-10-11/h5,7-8H,1-4,6H2
InChIKeyPXTVWXYIWGCIOF-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.47
Rot. Bonds3

About 1-(2-cyclobutylethyl)triazole

1-(2-cyclobutylethyl)triazole (PubChem CID 57182034) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(2-cyclobutylethyl)triazole.

Molecular Properties

Compound Name1-(2-cyclobutylethyl)triazole
PubChem CID57182034
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-(2-cyclobutylethyl)triazole
SMILESc1cn(CCC2CCC2)nn1
InChIInChI=1S/C8H13N3/c1-2-8(3-1)4-6-11-7-5-9-10-11/h5,7-8H,1-4,6H2
InChIKeyPXTVWXYIWGCIOF-UHFFFAOYSA-N
XLogP1.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylethyl)triazole?
The IUPAC name of 1-(2-cyclobutylethyl)triazole (CID 57182034) is 1-(2-cyclobutylethyl)triazole.
What is the SMILES notation for 1-(2-cyclobutylethyl)triazole?
The canonical SMILES for 1-(2-cyclobutylethyl)triazole is c1cn(CCC2CCC2)nn1.
What is the InChIKey of 1-(2-cyclobutylethyl)triazole?
The InChIKey is PXTVWXYIWGCIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-8(3-1)4-6-11-7-5-9-10-11/h5,7-8H,1-4,6H2.
What are the key properties of 1-(2-cyclobutylethyl)triazole?
1-(2-cyclobutylethyl)triazole has a molecular weight of 151.21 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylethyl)triazole is sourced from PubChem (CID 57182034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).