2-[4-(aminomethyl)triazol-1-yl]-N-(oxan-2-ylmethyl)ethanamine

C11H21N5O — CID 113314267

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(oxan-2-ylmethyl)ethanamine
SMILESNCc1cn(CCNCC2CCCCO2)nn1
InChIInChI=1S/C11H21N5O/c12-7-10-9-16(15-14-10)5-4-13-8-11-3-1-2-6-17-11/h9,11,13H,1-8,12H2
InChIKeyPBFZMZFYAVGWBD-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.10
Rot. Bonds6

About 2-[4-(aminomethyl)triazol-1-yl]-N-(oxan-2-ylmethyl)ethanamine

2-[4-(aminomethyl)triazol-1-yl]-N-(oxan-2-ylmethyl)ethanamine (PubChem CID 113314267) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(oxan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(oxan-2-ylmethyl)ethanamine
PubChem CID113314267
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(oxan-2-ylmethyl)ethanamine
SMILESNCc1cn(CCNCC2CCCCO2)nn1
InChIInChI=1S/C11H21N5O/c12-7-10-9-16(15-14-10)5-4-13-8-11-3-1-2-6-17-11/h9,11,13H,1-8,12H2
InChIKeyPBFZMZFYAVGWBD-UHFFFAOYSA-N
XLogP-0.10
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine
CID 94339475
N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66194671
2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine
CID 115460282
3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220963
4-[1-(oxan-2-ylmethyl)triazol-4-yl]butan-1-amine
CID 113424709
[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol
CID 65166429
4-(2-bromoethyl)-1-(oxan-2-ylmethyl)triazole
CID 62395835
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-methylcyclopentan-1-amine
CID 115460313
N-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine
CID 62563641
2-[1-[3-(oxolan-2-yl)propyl]triazol-4-yl]ethanol
CID 65166430
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
2-[4-(hydroxymethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 62401850

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(oxan-2-ylmethyl)ethanamine?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(oxan-2-ylmethyl)ethanamine (CID 113314267) is 2-[4-(aminomethyl)triazol-1-yl]-N-(oxan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(oxan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(oxan-2-ylmethyl)ethanamine is NCc1cn(CCNCC2CCCCO2)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(oxan-2-ylmethyl)ethanamine?
The InChIKey is PBFZMZFYAVGWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c12-7-10-9-16(15-14-10)5-4-13-8-11-3-1-2-6-17-11/h9,11,13H,1-8,12H2.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(oxan-2-ylmethyl)ethanamine?
2-[4-(aminomethyl)triazol-1-yl]-N-(oxan-2-ylmethyl)ethanamine has a molecular weight of 239.32 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-(oxan-2-ylmethyl)ethanamine is sourced from PubChem (CID 113314267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).