N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

C23H18N4O3 — CID 18204542

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H18N4O3/c28-23(24-17-11-12-19-20(15-17)30-14-13-29-19)21-25-22(16-7-3-1-4-8-16)27(26-21)18-9-5-2-6-10-18/h1-12,15H,13-14H2,(H,24,28)
InChIKeyZSNLLWQWDKZUQH-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.96
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 18204542) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID18204542
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H18N4O3/c28-23(24-17-11-12-19-20(15-17)30-14-13-29-19)21-25-22(16-7-3-1-4-8-16)27(26-21)18-9-5-2-6-10-18/h1-12,15H,13-14H2,(H,24,28)
InChIKeyZSNLLWQWDKZUQH-UHFFFAOYSA-N
XLogP3.96
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 2447508
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 8900193
N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4849380
N-(1,3-benzodioxol-5-yl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2540316
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55506834
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 19583672
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55573470
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)tetrazole-5-carboxamide
CID 71791342
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110426437
1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide
CID 110372991
[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 1,3-diphenylpyrazole-5-carboxylate
CID 5207104

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 18204542) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is ZSNLLWQWDKZUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c28-23(24-17-11-12-19-20(15-17)30-14-13-29-19)21-25-22(16-7-3-1-4-8-16)27(26-21)18-9-5-2-6-10-18/h1-12,15H,13-14H2,(H,24,28).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 18204542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).