1-[1-[2-(2-cyclopropylethoxy)ethyl]triazol-4-yl]-N-methylmethanamine

C11H20N4O — CID 106205756

IUPAC1-[1-[2-(2-cyclopropylethoxy)ethyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CCOCCC2CC2)nn1
InChIInChI=1S/C11H20N4O/c1-12-8-11-9-15(14-13-11)5-7-16-6-4-10-2-3-10/h9-10,12H,2-8H2,1H3
InChIKeyIHVWCZCXIFAIQM-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.81
Rot. Bonds8

About 1-[1-[2-(2-cyclopropylethoxy)ethyl]triazol-4-yl]-N-methylmethanamine

1-[1-[2-(2-cyclopropylethoxy)ethyl]triazol-4-yl]-N-methylmethanamine (PubChem CID 106205756) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[1-[2-(2-cyclopropylethoxy)ethyl]triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(2-cyclopropylethoxy)ethyl]triazol-4-yl]-N-methylmethanamine
PubChem CID106205756
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[1-[2-(2-cyclopropylethoxy)ethyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CCOCCC2CC2)nn1
InChIInChI=1S/C11H20N4O/c1-12-8-11-9-15(14-13-11)5-7-16-6-4-10-2-3-10/h9-10,12H,2-8H2,1H3
InChIKeyIHVWCZCXIFAIQM-UHFFFAOYSA-N
XLogP0.81
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-cyclopropylethoxy)ethyl]triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(2-cyclopropylethoxy)ethyl]triazol-4-yl]-N-methylmethanamine (CID 106205756) is 1-[1-[2-(2-cyclopropylethoxy)ethyl]triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(2-cyclopropylethoxy)ethyl]triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(2-cyclopropylethoxy)ethyl]triazol-4-yl]-N-methylmethanamine is CNCc1cn(CCOCCC2CC2)nn1.
What is the InChIKey of 1-[1-[2-(2-cyclopropylethoxy)ethyl]triazol-4-yl]-N-methylmethanamine?
The InChIKey is IHVWCZCXIFAIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-12-8-11-9-15(14-13-11)5-7-16-6-4-10-2-3-10/h9-10,12H,2-8H2,1H3.
What are the key properties of 1-[1-[2-(2-cyclopropylethoxy)ethyl]triazol-4-yl]-N-methylmethanamine?
1-[1-[2-(2-cyclopropylethoxy)ethyl]triazol-4-yl]-N-methylmethanamine has a molecular weight of 224.31 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-cyclopropylethoxy)ethyl]triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 106205756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).