2-(2-aminophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide

C13H17N5O2 — CID 64511151

IUPAC2-(2-aminophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1nc(CN(C)C(=O)COc2ccccc2N)n[nH]1
InChIInChI=1S/C13H17N5O2/c1-9-15-12(17-16-9)7-18(2)13(19)8-20-11-6-4-3-5-10(11)14/h3-6H,7-8,14H2,1-2H3,(H,15,16,17)
InChIKeyLYKVJECNVJEBRO-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.73
Rot. Bonds5

About 2-(2-aminophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide

2-(2-aminophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 64511151) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID64511151
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-(2-aminophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1nc(CN(C)C(=O)COc2ccccc2N)n[nH]1
InChIInChI=1S/C13H17N5O2/c1-9-15-12(17-16-9)7-18(2)13(19)8-20-11-6-4-3-5-10(11)14/h3-6H,7-8,14H2,1-2H3,(H,15,16,17)
InChIKeyLYKVJECNVJEBRO-UHFFFAOYSA-N
XLogP0.73
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64519599
2-(2-aminophenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 63693890
3-(4-fluorophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
CID 64512190
2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 64517177
2-(2-aminophenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 28801945
2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N,N-diethylacetamide
CID 61108210
3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64525861
2-chloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64511177
2-(3-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64511765
3-amino-3-hydroxyimino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
CID 77045913
3-methoxy-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide
CID 103021299
2-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)-N-methylacetamide
CID 61106876

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(2-aminophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide (CID 64511151) is 2-(2-aminophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide is Cc1nc(CN(C)C(=O)COc2ccccc2N)n[nH]1.
What is the InChIKey of 2-(2-aminophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is LYKVJECNVJEBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9-15-12(17-16-9)7-18(2)13(19)8-20-11-6-4-3-5-10(11)14/h3-6H,7-8,14H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(2-aminophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
2-(2-aminophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 275.31 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 64511151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).