2-[5-(aminomethyl)triazol-1-yl]-N-(3,4-dimethylphenyl)acetamide

C13H17N5O — CID 82201953

IUPAC2-[5-(aminomethyl)triazol-1-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nncc2CN)cc1C
InChIInChI=1S/C13H17N5O/c1-9-3-4-11(5-10(9)2)16-13(19)8-18-12(6-14)7-15-17-18/h3-5,7H,6,8,14H2,1-2H3,(H,16,19)
InChIKeyASRNYLKHYPIJEL-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.99
Rot. Bonds4

About 2-[5-(aminomethyl)triazol-1-yl]-N-(3,4-dimethylphenyl)acetamide

2-[5-(aminomethyl)triazol-1-yl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 82201953) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[5-(aminomethyl)triazol-1-yl]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)triazol-1-yl]-N-(3,4-dimethylphenyl)acetamide
PubChem CID82201953
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-[5-(aminomethyl)triazol-1-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nncc2CN)cc1C
InChIInChI=1S/C13H17N5O/c1-9-3-4-11(5-10(9)2)16-13(19)8-18-12(6-14)7-15-17-18/h3-5,7H,6,8,14H2,1-2H3,(H,16,19)
InChIKeyASRNYLKHYPIJEL-UHFFFAOYSA-N
XLogP0.99
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-(aminomethyl)triazol-1-yl]-N-(3,4-dimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[2-(4-acetamidoanilino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 94935663
5-amino-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)triazole-4-carboxamide
CID 20923733
N-(3,4-dimethylphenyl)-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 2559924
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 122278422
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
5-amino-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,5-dimethylphenyl)triazole-4-carboxamide
CID 20923831
2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 577482
2-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 82194793
N-(3,4-dimethylphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide
CID 9404002
N-(3,4-dimethylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 51345676
ethyl N-[2-(3,4-dimethylanilino)-2-oxoethyl]carbamate
CID 47187195
N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)triazol-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[5-(aminomethyl)triazol-1-yl]-N-(3,4-dimethylphenyl)acetamide (CID 82201953) is 2-[5-(aminomethyl)triazol-1-yl]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[5-(aminomethyl)triazol-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[5-(aminomethyl)triazol-1-yl]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nncc2CN)cc1C.
What is the InChIKey of 2-[5-(aminomethyl)triazol-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is ASRNYLKHYPIJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-3-4-11(5-10(9)2)16-13(19)8-18-12(6-14)7-15-17-18/h3-5,7H,6,8,14H2,1-2H3,(H,16,19).
What are the key properties of 2-[5-(aminomethyl)triazol-1-yl]-N-(3,4-dimethylphenyl)acetamide?
2-[5-(aminomethyl)triazol-1-yl]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 259.31 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)triazol-1-yl]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 82201953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).