N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

C25H23N5O2 — CID 2447508

IUPACN-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C25H23N5O2/c31-25(26-20-11-13-21(14-12-20)29-15-17-32-18-16-29)23-27-24(19-7-3-1-4-8-19)30(28-23)22-9-5-2-6-10-22/h1-14H,15-18H2,(H,26,31)
InChIKeyRZZOMNJNXAVRJM-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.02
Rot. Bonds5

About N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 2447508) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID2447508
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C25H23N5O2/c31-25(26-20-11-13-21(14-12-20)29-15-17-32-18-16-29)23-27-24(19-7-3-1-4-8-19)30(28-23)22-9-5-2-6-10-22/h1-14H,15-18H2,(H,26,31)
InChIKeyRZZOMNJNXAVRJM-UHFFFAOYSA-N
XLogP4.02
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 18204542
N'-(oxane-4-carbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 30992875
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55573470
3-methyl-6-(3-morpholin-4-ylphenyl)-N-phenylpyrazine-2-carboxamide
CID 91110077
N-(4-bromophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745504
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745529
2-methyl-N-(4-morpholin-4-ylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 16957852
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
3-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxamide
CID 42157664
N-(4-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide
CID 17444618
(2-morpholin-4-yl-2-oxoethyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 2103687
N-(4-morpholin-4-ylphenyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 53167088

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 2447508) is N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is RZZOMNJNXAVRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c31-25(26-20-11-13-21(14-12-20)29-15-17-32-18-16-29)23-27-24(19-7-3-1-4-8-19)30(28-23)22-9-5-2-6-10-22/h1-14H,15-18H2,(H,26,31).
What are the key properties of N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 2447508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).