5-cyclobutyl-1-ethyl-1,2,4-triazole

C8H13N3 — CID 101129673

IUPAC5-cyclobutyl-1-ethyl-1,2,4-triazole
SMILESCCn1ncnc1C1CCC1
InChIInChI=1S/C8H13N3/c1-2-11-8(9-6-10-11)7-4-3-5-7/h6-7H,2-5H2,1H3
InChIKeyZRNWXKRDRUSNLG-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.57
Rot. Bonds2

About 5-cyclobutyl-1-ethyl-1,2,4-triazole

5-cyclobutyl-1-ethyl-1,2,4-triazole (PubChem CID 101129673) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-cyclobutyl-1-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclobutyl-1-ethyl-1,2,4-triazole
PubChem CID101129673
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-cyclobutyl-1-ethyl-1,2,4-triazole
SMILESCCn1ncnc1C1CCC1
InChIInChI=1S/C8H13N3/c1-2-11-8(9-6-10-11)7-4-3-5-7/h6-7H,2-5H2,1H3
InChIKeyZRNWXKRDRUSNLG-UHFFFAOYSA-N
XLogP1.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine
CID 94552936
3-(2-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-ol
CID 130530013
(2R)-2-(2-ethyl-1,2,4-triazol-3-yl)piperidine
CID 94552945
3-(2-ethyl-1,2,4-triazol-3-yl)cyclohex-2-en-1-ol
CID 130530021
5-cyclobutyl-1-ethylpyrazol-4-ol
CID 105433092
1-(cyclobutylmethyl)-5-pyrrolidin-3-yl-1,2,4-triazole
CID 84674604
1-(4-chlorophenyl)-4-[(5-cyclobutyl-1,2,4-triazol-1-yl)methyl]triazole
CID 118870078
1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazole
CID 174742689
N'-cyclobutyl-N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
CID 102875127
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methylcyclopentyl)ethanamine
CID 107189682
5-chloro-1-ethyl-1,2,4-triazole
CID 45117660
[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 81011017

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-1-ethyl-1,2,4-triazole?
The IUPAC name of 5-cyclobutyl-1-ethyl-1,2,4-triazole (CID 101129673) is 5-cyclobutyl-1-ethyl-1,2,4-triazole.
What is the SMILES notation for 5-cyclobutyl-1-ethyl-1,2,4-triazole?
The canonical SMILES for 5-cyclobutyl-1-ethyl-1,2,4-triazole is CCn1ncnc1C1CCC1.
What is the InChIKey of 5-cyclobutyl-1-ethyl-1,2,4-triazole?
The InChIKey is ZRNWXKRDRUSNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-11-8(9-6-10-11)7-4-3-5-7/h6-7H,2-5H2,1H3.
What are the key properties of 5-cyclobutyl-1-ethyl-1,2,4-triazole?
5-cyclobutyl-1-ethyl-1,2,4-triazole has a molecular weight of 151.21 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-1-ethyl-1,2,4-triazole is sourced from PubChem (CID 101129673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).