2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine

C8H14N4 — CID 83873587

IUPAC2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine
SMILESNCCc1nncn1C1CCC1
InChIInChI=1S/C8H14N4/c9-5-4-8-11-10-6-12(8)7-2-1-3-7/h6-7H,1-5,9H2
InChIKeyGXIMEKZLDVKHLW-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.50
Rot. Bonds3

About 2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine

2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 83873587) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID83873587
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine
SMILESNCCc1nncn1C1CCC1
InChIInChI=1S/C8H14N4/c9-5-4-8-11-10-6-12(8)7-2-1-3-7/h6-7H,1-5,9H2
InChIKeyGXIMEKZLDVKHLW-UHFFFAOYSA-N
XLogP0.50
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclopropyl-1,2,4-triazol-3-yl)methanamine
CID 50988415
2-[2-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 55107637
3-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine
CID 62710749
2-(3-cyclobutylimidazol-4-yl)ethanamine
CID 83873401
1-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 64672496
1-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-methylpropan-2-amine
CID 64672693
N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
CID 62696043
3-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methoxypropan-1-amine
CID 103160303
4-[2-(4-cyclopentyl-1,2,4-triazol-3-yl)ethoxy]piperidine
CID 55251532
[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 62694906
1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
CID 130987230
4-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-yl]aniline
CID 104503372

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine (CID 83873587) is 2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine is NCCc1nncn1C1CCC1.
What is the InChIKey of 2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is GXIMEKZLDVKHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c9-5-4-8-11-10-6-12(8)7-2-1-3-7/h6-7H,1-5,9H2.
What are the key properties of 2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine?
2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 166.23 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 83873587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).