2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine

C9H16N4 — CID 116642244

IUPAC2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine
SMILESNCCc1cn(CC2CCC2)nn1
InChIInChI=1S/C9H16N4/c10-5-4-9-7-13(12-11-9)6-8-2-1-3-8/h7-8H,1-6,10H2
InChIKeyOUXMQFRGPYKUPI-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.58
Rot. Bonds4

About 2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine

2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine (PubChem CID 116642244) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine
PubChem CID116642244
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine
SMILESNCCc1cn(CC2CCC2)nn1
InChIInChI=1S/C9H16N4/c10-5-4-9-7-13(12-11-9)6-8-2-1-3-8/h7-8H,1-6,10H2
InChIKeyOUXMQFRGPYKUPI-UHFFFAOYSA-N
XLogP0.58
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chloroethyl)-1-(cyclobutylmethyl)triazole
CID 65461453
4-(2-bromoethyl)-1-(cyclobutylmethyl)triazole
CID 65461455
4-(bromomethyl)-1-(cyclopentylmethyl)triazole
CID 62400118
1-[4-(2-aminoethyl)triazol-1-yl]-3-cyclopentylpropan-2-ol
CID 103161030
[1-(piperidin-4-ylmethyl)triazol-4-yl]methanamine
CID 121208781
1-(cyclohexylmethyl)-4-[2-(1H-imidazol-5-yl)ethyl]triazole
CID 51354876
2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine
CID 116642361
2-(1-cyclopropyltriazol-4-yl)ethanamine
CID 84649663
2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine
CID 116642161
3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220963
2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanamine
CID 116642242
4-[1-(oxan-2-ylmethyl)triazol-4-yl]butan-1-amine
CID 113424709

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine (CID 116642244) is 2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine is NCCc1cn(CC2CCC2)nn1.
What is the InChIKey of 2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine?
The InChIKey is OUXMQFRGPYKUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c10-5-4-9-7-13(12-11-9)6-8-2-1-3-8/h7-8H,1-6,10H2.
What are the key properties of 2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine?
2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine has a molecular weight of 180.25 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 116642244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).