1-(2-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)-5-methyltriazole-4-carboxamide

C13H11ClN6O3 — CID 56801333

IUPAC1-(2-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)NN2CC(=O)NC2=O)nnn1-c1ccccc1Cl
InChIInChI=1S/C13H11ClN6O3/c1-7-11(12(22)17-19-6-10(21)15-13(19)23)16-18-20(7)9-5-3-2-4-8(9)14/h2-5H,6H2,1H3,(H,17,22)(H,15,21,23)
InChIKeyMVYNHOJRUAIXGB-UHFFFAOYSA-N
MW334.72 g/mol
LogP0.43
Rot. Bonds3

About 1-(2-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)-5-methyltriazole-4-carboxamide

1-(2-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)-5-methyltriazole-4-carboxamide (PubChem CID 56801333) has the molecular formula C13H11ClN6O3 and a molecular weight of 334.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)-5-methyltriazole-4-carboxamide
PubChem CID56801333
Molecular FormulaC13H11ClN6O3
Molecular Weight334.72 g/mol
Exact Mass334.06
IUPAC Name1-(2-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)NN2CC(=O)NC2=O)nnn1-c1ccccc1Cl
InChIInChI=1S/C13H11ClN6O3/c1-7-11(12(22)17-19-6-10(21)15-13(19)23)16-18-20(7)9-5-3-2-4-8(9)14/h2-5H,6H2,1H3,(H,17,22)(H,15,21,23)
InChIKeyMVYNHOJRUAIXGB-UHFFFAOYSA-N
XLogP0.43
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.72
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide
CID 6493785
1-(2-chlorophenyl)-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide
CID 86888977
1-(2-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide
CID 95572722
1-(2-chlorophenyl)-5-methyl-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]triazole-4-carboxamide
CID 167863952
1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
CID 16649250
1-(2-chlorophenyl)-5-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)triazole-4-carboxamide
CID 99818166
1-(2-chlorophenyl)-N-(4-methoxy-3-pyridinyl)-5-methyltriazole-4-carboxamide
CID 56825593
(2S)-3-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]-2-cyano-N-methyl-3-oxopropanamide
CID 98361607
ethyl 3-[[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16648450
1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanone
CID 43671078
1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanone
CID 540378
[1-(2-chlorophenyl)-5-methyltriazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488163

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)-5-methyltriazole-4-carboxamide (CID 56801333) is 1-(2-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)-5-methyltriazole-4-carboxamide is Cc1c(C(=O)NN2CC(=O)NC2=O)nnn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)-5-methyltriazole-4-carboxamide?
The InChIKey is MVYNHOJRUAIXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN6O3/c1-7-11(12(22)17-19-6-10(21)15-13(19)23)16-18-20(7)9-5-3-2-4-8(9)14/h2-5H,6H2,1H3,(H,17,22)(H,15,21,23).
What are the key properties of 1-(2-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)-5-methyltriazole-4-carboxamide?
1-(2-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)-5-methyltriazole-4-carboxamide has a molecular weight of 334.72 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 56801333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).