2-(diethylamino)-N-[[1-(2,4,6-trichlorophenyl)triazol-4-yl]methyl]acetamide

C15H18Cl3N5O — CID 51050638

IUPAC2-(diethylamino)-N-[[1-(2,4,6-trichlorophenyl)triazol-4-yl]methyl]acetamide
SMILESCCN(CC)CC(=O)NCc1cn(-c2c(Cl)cc(Cl)cc2Cl)nn1
InChIInChI=1S/C15H18Cl3N5O/c1-3-22(4-2)9-14(24)19-7-11-8-23(21-20-11)15-12(17)5-10(16)6-13(15)18/h5-6,8H,3-4,7,9H2,1-2H3,(H,19,24)
InChIKeyPOODDOFWWFXKED-UHFFFAOYSA-N
MW390.70 g/mol
LogP3.19
Rot. Bonds7

About 2-(diethylamino)-N-[[1-(2,4,6-trichlorophenyl)triazol-4-yl]methyl]acetamide

2-(diethylamino)-N-[[1-(2,4,6-trichlorophenyl)triazol-4-yl]methyl]acetamide (PubChem CID 51050638) has the molecular formula C15H18Cl3N5O and a molecular weight of 390.70 g/mol. Its IUPAC name is 2-(diethylamino)-N-[[1-(2,4,6-trichlorophenyl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[[1-(2,4,6-trichlorophenyl)triazol-4-yl]methyl]acetamide
PubChem CID51050638
Molecular FormulaC15H18Cl3N5O
Molecular Weight390.70 g/mol
Exact Mass389.06
IUPAC Name2-(diethylamino)-N-[[1-(2,4,6-trichlorophenyl)triazol-4-yl]methyl]acetamide
SMILESCCN(CC)CC(=O)NCc1cn(-c2c(Cl)cc(Cl)cc2Cl)nn1
InChIInChI=1S/C15H18Cl3N5O/c1-3-22(4-2)9-14(24)19-7-11-8-23(21-20-11)15-12(17)5-10(16)6-13(15)18/h5-6,8H,3-4,7,9H2,1-2H3,(H,19,24)
InChIKeyPOODDOFWWFXKED-UHFFFAOYSA-N
XLogP3.19
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.70
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(diethylamino)-N-[[1-(2,4,6-trichlorophenyl)triazol-4-yl]methyl]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-(diethylamino)-N-[[1-(2,4,6-trichlorophenyl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[[1-(2,4,6-trichlorophenyl)triazol-4-yl]methyl]acetamide (CID 51050638) is 2-(diethylamino)-N-[[1-(2,4,6-trichlorophenyl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[[1-(2,4,6-trichlorophenyl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[[1-(2,4,6-trichlorophenyl)triazol-4-yl]methyl]acetamide is CCN(CC)CC(=O)NCc1cn(-c2c(Cl)cc(Cl)cc2Cl)nn1.
What is the InChIKey of 2-(diethylamino)-N-[[1-(2,4,6-trichlorophenyl)triazol-4-yl]methyl]acetamide?
The InChIKey is POODDOFWWFXKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl3N5O/c1-3-22(4-2)9-14(24)19-7-11-8-23(21-20-11)15-12(17)5-10(16)6-13(15)18/h5-6,8H,3-4,7,9H2,1-2H3,(H,19,24).
What are the key properties of 2-(diethylamino)-N-[[1-(2,4,6-trichlorophenyl)triazol-4-yl]methyl]acetamide?
2-(diethylamino)-N-[[1-(2,4,6-trichlorophenyl)triazol-4-yl]methyl]acetamide has a molecular weight of 390.70 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[[1-(2,4,6-trichlorophenyl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 51050638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).