3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine

C11H20N4O — CID 106220963

IUPAC3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine
SMILESNCCCc1cn(CC2CCCCO2)nn1
InChIInChI=1S/C11H20N4O/c12-6-3-4-10-8-15(14-13-10)9-11-5-1-2-7-16-11/h8,11H,1-7,9,12H2
InChIKeyWTXQDIMKSOSBDT-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.74
Rot. Bonds5

About 3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine

3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine (PubChem CID 106220963) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine
PubChem CID106220963
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine
SMILESNCCCc1cn(CC2CCCCO2)nn1
InChIInChI=1S/C11H20N4O/c12-6-3-4-10-8-15(14-13-10)9-11-5-1-2-7-16-11/h8,11H,1-7,9,12H2
InChIKeyWTXQDIMKSOSBDT-UHFFFAOYSA-N
XLogP0.74
TPSA65.96 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 ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(oxan-2-ylmethyl)triazol-4-yl]butan-1-amine
CID 113424709
4-(2-bromoethyl)-1-(oxan-2-ylmethyl)triazole
CID 62395835
[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine
CID 94339475
N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66194671
3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid
CID 107460718
4-[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]butan-1-amine
CID 103142980
N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine
CID 66214826
2-methyl-1-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine
CID 114202257
4-[(4-methoxyphenoxy)methyl]-1-(oxolan-2-ylmethyl)triazole
CID 56935415
2-[4-(aminomethyl)triazol-1-yl]-N-(oxan-2-ylmethyl)ethanamine
CID 113314267
2-[1-[3-(oxolan-2-yl)propyl]triazol-4-yl]ethanol
CID 65166430
3-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220803

Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine (CID 106220963) is 3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine is NCCCc1cn(CC2CCCCO2)nn1.
What is the InChIKey of 3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine?
The InChIKey is WTXQDIMKSOSBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c12-6-3-4-10-8-15(14-13-10)9-11-5-1-2-7-16-11/h8,11H,1-7,9,12H2.
What are the key properties of 3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine?
3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine has a molecular weight of 224.31 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106220963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).