1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide

C15H9Cl3N4O — CID 99586321

IUPAC1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H9Cl3N4O/c16-10-6-12(18)13(7-11(10)17)19-15(23)14-8-22(21-20-14)9-4-2-1-3-5-9/h1-8H,(H,19,23)
InChIKeyYAQQUCXWHYVYML-UHFFFAOYSA-N
MW367.62 g/mol
LogP4.48
Rot. Bonds3

About 1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide

1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide (PubChem CID 99586321) has the molecular formula C15H9Cl3N4O and a molecular weight of 367.62 g/mol. Its IUPAC name is 1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide
PubChem CID99586321
Molecular FormulaC15H9Cl3N4O
Molecular Weight367.62 g/mol
Exact Mass365.98
IUPAC Name1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H9Cl3N4O/c16-10-6-12(18)13(7-11(10)17)19-15(23)14-8-22(21-20-14)9-4-2-1-3-5-9/h1-8H,(H,19,23)
InChIKeyYAQQUCXWHYVYML-UHFFFAOYSA-N
XLogP4.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.62
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide
CID 46686504
3-chloro-5-[(1-phenyltriazole-4-carbonyl)amino]benzoic acid
CID 146121578
N-(4-bromophenyl)-1-phenyltriazole-4-carboxamide
CID 39087725
3-[(1-phenyltriazole-4-carbonyl)amino]benzoic acid
CID 71942422
1-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)triazole-4-carboxamide
CID 60549527
N'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide
CID 46407148
1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide
CID 43429821
N-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 136929474
N-cyano-1-phenyltriazole-4-carboxamide
CID 79194691
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-phenyltriazole-4-carboxamide
CID 46686156
methyl 4-chloro-3-[[1-(4-methylphenyl)triazole-4-carbonyl]amino]benzoate
CID 99587320
N-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38953471

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide (CID 99586321) is 1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cn(-c2ccccc2)nn1.
What is the InChIKey of 1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide?
The InChIKey is YAQQUCXWHYVYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N4O/c16-10-6-12(18)13(7-11(10)17)19-15(23)14-8-22(21-20-14)9-4-2-1-3-5-9/h1-8H,(H,19,23).
What are the key properties of 1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide?
1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide has a molecular weight of 367.62 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide is sourced from PubChem (CID 99586321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).