N-[4-(diethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide

C20H23N5O — CID 27229205

IUPACN-[4-(diethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2nn(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C20H23N5O/c1-4-24(5-2)17-13-11-16(12-14-17)21-20(26)19-15(3)22-25(23-19)18-9-7-6-8-10-18/h6-14H,4-5H2,1-3H3,(H,21,26)
InChIKeyYIKPSGIZJLFMAW-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.67
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide

N-[4-(diethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide (PubChem CID 27229205) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
PubChem CID27229205
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[4-(diethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2nn(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C20H23N5O/c1-4-24(5-2)17-13-11-16(12-14-17)21-20(26)19-15(3)22-25(23-19)18-9-7-6-8-10-18/h6-14H,4-5H2,1-3H3,(H,21,26)
InChIKeyYIKPSGIZJLFMAW-UHFFFAOYSA-N
XLogP3.67
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(diethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide 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 N-[4-(diethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide (CID 27229205) is N-[4-(diethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2nn(-c3ccccc3)nc2C)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The InChIKey is YIKPSGIZJLFMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-4-24(5-2)17-13-11-16(12-14-17)21-20(26)19-15(3)22-25(23-19)18-9-7-6-8-10-18/h6-14H,4-5H2,1-3H3,(H,21,26).
What are the key properties of N-[4-(diethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide?
N-[4-(diethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 27229205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).