N-ethyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-methylacetamide

C11H21N5O2 — CID 66205413

IUPACN-ethyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-methylacetamide
SMILESCCN(C)C(=O)Cn1cc(CNCCOC)nn1
InChIInChI=1S/C11H21N5O2/c1-4-15(2)11(17)9-16-8-10(13-14-16)7-12-5-6-18-3/h8,12H,4-7,9H2,1-3H3
InChIKeySCGKFFAGTBDXOS-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.51
Rot. Bonds8

About N-ethyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-methylacetamide

N-ethyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-methylacetamide (PubChem CID 66205413) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-ethyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-methylacetamide
PubChem CID66205413
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC NameN-ethyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-methylacetamide
SMILESCCN(C)C(=O)Cn1cc(CNCCOC)nn1
InChIInChI=1S/C11H21N5O2/c1-4-15(2)11(17)9-16-8-10(13-14-16)7-12-5-6-18-3/h8,12H,4-7,9H2,1-3H3
InChIKeySCGKFFAGTBDXOS-UHFFFAOYSA-N
XLogP-0.51
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-ethyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-methylacetamide?
The IUPAC name of N-ethyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-methylacetamide (CID 66205413) is N-ethyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-methylacetamide?
The canonical SMILES for N-ethyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-methylacetamide is CCN(C)C(=O)Cn1cc(CNCCOC)nn1.
What is the InChIKey of N-ethyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-methylacetamide?
The InChIKey is SCGKFFAGTBDXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-4-15(2)11(17)9-16-8-10(13-14-16)7-12-5-6-18-3/h8,12H,4-7,9H2,1-3H3.
What are the key properties of N-ethyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-methylacetamide?
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-methylacetamide has a molecular weight of 255.32 g/mol, XLogP of -0.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 66205413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).