2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine

C12H23N5 — CID 116642161

IUPAC2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine
SMILESCN1CCCCC1CCn1cc(CCN)nn1
InChIInChI=1S/C12H23N5/c1-16-8-3-2-4-12(16)6-9-17-10-11(5-7-13)14-15-17/h10,12H,2-9,13H2,1H3
InChIKeyMOJHTTAKDKLYAZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.65
Rot. Bonds5

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

2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine (PubChem CID 116642161) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine
PubChem CID116642161
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine
SMILESCN1CCCCC1CCn1cc(CCN)nn1
InChIInChI=1S/C12H23N5/c1-16-8-3-2-4-12(16)6-9-17-10-11(5-7-13)14-15-17/h10,12H,2-9,13H2,1H3
InChIKeyMOJHTTAKDKLYAZ-UHFFFAOYSA-N
XLogP0.65
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[[(2R)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanamine
CID 129496715
[1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol
CID 129493953
[1-[2-(1-methylpiperidin-2-yl)ethyl]imidazol-4-yl]methanamine
CID 107913121
4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrazol-3-amine
CID 107912156
[1-[2-(2-ethylazepan-1-yl)ethyl]triazol-4-yl]methanamine
CID 104690284
2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine
CID 116642361
2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine
CID 116642244
4-[1-(2-cyclopropylethyl)triazol-4-yl]butan-1-amine
CID 104539266
2-(1-pentyltriazol-4-yl)ethanamine
CID 116641934
(2R)-2-[2-(4-ethylpyrazol-1-yl)ethyl]-1-methylpiperidine
CID 143916063
N-[[1-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]triazol-4-yl]methyl]ethanamine
CID 65468849
2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen
CID 178143502

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine (CID 116642161) is 2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine is CN1CCCCC1CCn1cc(CCN)nn1.
What is the InChIKey of 2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine?
The InChIKey is MOJHTTAKDKLYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-16-8-3-2-4-12(16)6-9-17-10-11(5-7-13)14-15-17/h10,12H,2-9,13H2,1H3.
What are the key properties of 2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine?
2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 116642161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).