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

C11H20N4O — CID 66194671

IUPACN-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CC2CCCCO2)nn1
InChIInChI=1S/C11H20N4O/c1-2-12-7-10-8-15(14-13-10)9-11-5-3-4-6-16-11/h8,11-12H,2-7,9H2,1H3
InChIKeyALSKXPWTFWAZES-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.96
Rot. Bonds5

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

N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine (PubChem CID 66194671) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine
PubChem CID66194671
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CC2CCCCO2)nn1
InChIInChI=1S/C11H20N4O/c1-2-12-7-10-8-15(14-13-10)9-11-5-3-4-6-16-11/h8,11-12H,2-7,9H2,1H3
InChIKeyALSKXPWTFWAZES-UHFFFAOYSA-N
XLogP0.96
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine
CID 66214826
4-(2-bromoethyl)-1-(oxan-2-ylmethyl)triazole
CID 62395835
N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66192330
N-[[1-[(4-propan-2-ylmorpholin-2-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66192747
4-[1-(oxan-2-ylmethyl)triazol-4-yl]butan-1-amine
CID 113424709
[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine
CID 94339475
3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220963
3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid
CID 107460718
4-[(4-methoxyphenoxy)methyl]-1-(oxolan-2-ylmethyl)triazole
CID 56935415
2-[4-(aminomethyl)triazol-1-yl]-N-(oxan-2-ylmethyl)ethanamine
CID 113314267
N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine
CID 66194675
2-[4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]triazol-1-yl]ethanol
CID 66269619

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine (CID 66194671) is N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine is CCNCc1cn(CC2CCCCO2)nn1.
What is the InChIKey of N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine?
The InChIKey is ALSKXPWTFWAZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-12-7-10-8-15(14-13-10)9-11-5-3-4-6-16-11/h8,11-12H,2-7,9H2,1H3.
What are the key properties of N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine?
N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine has a molecular weight of 224.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66194671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).