2-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide

C14H19N5O — CID 91774166

IUPAC2-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
SMILESCN(C)c1ccc(CC(=O)NCCn2cncn2)cc1
InChIInChI=1S/C14H19N5O/c1-18(2)13-5-3-12(4-6-13)9-14(20)16-7-8-19-11-15-10-17-19/h3-6,10-11H,7-9H2,1-2H3,(H,16,20)
InChIKeyMHPHJCQAAHEUOO-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.70
Rot. Bonds6

About 2-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide

2-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide (PubChem CID 91774166) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
PubChem CID91774166
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
SMILESCN(C)c1ccc(CC(=O)NCCn2cncn2)cc1
InChIInChI=1S/C14H19N5O/c1-18(2)13-5-3-12(4-6-13)9-14(20)16-7-8-19-11-15-10-17-19/h3-6,10-11H,7-9H2,1-2H3,(H,16,20)
InChIKeyMHPHJCQAAHEUOO-UHFFFAOYSA-N
XLogP0.70
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide (CID 91774166) is 2-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide is CN(C)c1ccc(CC(=O)NCCn2cncn2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
The InChIKey is MHPHJCQAAHEUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-18(2)13-5-3-12(4-6-13)9-14(20)16-7-8-19-11-15-10-17-19/h3-6,10-11H,7-9H2,1-2H3,(H,16,20).
What are the key properties of 2-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
2-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 91774166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).