1-(4-chlorophenyl)-N,N-diethyl-5-phenyl-1,2,4-triazole-3-carboxamide

C19H19ClN4O — CID 1211362

IUPAC1-(4-chlorophenyl)-N,N-diethyl-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCCN(CC)C(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H19ClN4O/c1-3-23(4-2)19(25)17-21-18(14-8-6-5-7-9-14)24(22-17)16-12-10-15(20)11-13-16/h5-13H,3-4H2,1-2H3
InChIKeyRUESHYNBQVXWPY-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.07
Rot. Bonds5

About 1-(4-chlorophenyl)-N,N-diethyl-5-phenyl-1,2,4-triazole-3-carboxamide

1-(4-chlorophenyl)-N,N-diethyl-5-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 1211362) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,N-diethyl-5-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,N-diethyl-5-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID1211362
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name1-(4-chlorophenyl)-N,N-diethyl-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCCN(CC)C(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H19ClN4O/c1-3-23(4-2)19(25)17-21-18(14-8-6-5-7-9-14)24(22-17)16-12-10-15(20)11-13-16/h5-13H,3-4H2,1-2H3
InChIKeyRUESHYNBQVXWPY-UHFFFAOYSA-N
XLogP4.07
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745548
azepan-1-yl-[1-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 50745653
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745529
N-benzyl-N-(2-hydroxyethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 78796020
8-chloro-N,N-diethyl-6-phenyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide
CID 57236670
1,5-bis(4-chlorophenyl)-N-hexadecyl-1,2,4-triazole-3-carboxamide
CID 71583524
5-(4-chlorophenyl)-1-(4-fluorophenyl)-1,2,4-triazole-3-carboxylic acid
CID 14531295
(4-chlorophenyl)-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone
CID 46555232
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 34778567
N-(2-cyanoethyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 78796847
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
N-(2-amino-2-oxoethyl)-N-butyl-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 78883233

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,N-diethyl-5-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N,N-diethyl-5-phenyl-1,2,4-triazole-3-carboxamide (CID 1211362) is 1-(4-chlorophenyl)-N,N-diethyl-5-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N,N-diethyl-5-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N,N-diethyl-5-phenyl-1,2,4-triazole-3-carboxamide is CCN(CC)C(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N,N-diethyl-5-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is RUESHYNBQVXWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-3-23(4-2)19(25)17-21-18(14-8-6-5-7-9-14)24(22-17)16-12-10-15(20)11-13-16/h5-13H,3-4H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N,N-diethyl-5-phenyl-1,2,4-triazole-3-carboxamide?
1-(4-chlorophenyl)-N,N-diethyl-5-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,N-diethyl-5-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 1211362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).