2-(3-amino-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide

C12H15N5O2 — CID 55012849

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide
SMILESNc1ncn(CC(=O)NCCOc2ccccc2)n1
InChIInChI=1S/C12H15N5O2/c13-12-15-9-17(16-12)8-11(18)14-6-7-19-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,13,16)(H,14,18)
InChIKeyAMOAJMYDZFPYCQ-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.06
Rot. Bonds6

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide (PubChem CID 55012849) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide
PubChem CID55012849
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide
SMILESNc1ncn(CC(=O)NCCOc2ccccc2)n1
InChIInChI=1S/C12H15N5O2/c13-12-15-9-17(16-12)8-11(18)14-6-7-19-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,13,16)(H,14,18)
InChIKeyAMOAJMYDZFPYCQ-UHFFFAOYSA-N
XLogP0.06
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.06
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

N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-amino-1,2,4-triazol-1-yl)acetamide
CID 106233336
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide
CID 61016737
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 106242189
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119905333
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylcarbamoylamino)ethyl]acetamide
CID 83107218
2-(ethylamino)-N-(2-phenoxyethyl)acetamide
CID 60672813
4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide
CID 65354090
2-(9-oxoacridin-10-yl)-N-(2-phenoxyethyl)acetamide
CID 26024228
2-(3-aminopiperidin-1-yl)-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119910163
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-phenoxyethyl)acetamide
CID 51146551
[1-amino-3-oxo-3-(2-phenoxyethylamino)propylidene]-hydroxyazanium
CID 2230159
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenoxyethyl)acetamide
CID 27234230

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide (CID 55012849) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide is Nc1ncn(CC(=O)NCCOc2ccccc2)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide?
The InChIKey is AMOAJMYDZFPYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c13-12-15-9-17(16-12)8-11(18)14-6-7-19-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,13,16)(H,14,18).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide has a molecular weight of 261.29 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 55012849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).