N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-5-methyl-2-phenyltriazole-4-carbohydrazide

C25H20N8O2 — CID 46652364

IUPACN'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-5-methyl-2-phenyltriazole-4-carbohydrazide
SMILESCc1nn(-c2ccccc2)nc1C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C25H20N8O2/c1-17-21(30-33(29-17)20-15-9-4-10-16-20)24(34)27-28-25(35)22-26-23(18-11-5-2-6-12-18)32(31-22)19-13-7-3-8-14-19/h2-16H,1H3,(H,27,34)(H,28,35)
InChIKeyBFYUJBAOWZFRSO-UHFFFAOYSA-N
MW464.49 g/mol
LogP2.90
Rot. Bonds5

About N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-5-methyl-2-phenyltriazole-4-carbohydrazide

N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-5-methyl-2-phenyltriazole-4-carbohydrazide (PubChem CID 46652364) has the molecular formula C25H20N8O2 and a molecular weight of 464.49 g/mol. Its IUPAC name is N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-5-methyl-2-phenyltriazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-5-methyl-2-phenyltriazole-4-carbohydrazide
PubChem CID46652364
Molecular FormulaC25H20N8O2
Molecular Weight464.49 g/mol
Exact Mass464.17
IUPAC NameN'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-5-methyl-2-phenyltriazole-4-carbohydrazide
SMILESCc1nn(-c2ccccc2)nc1C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C25H20N8O2/c1-17-21(30-33(29-17)20-15-9-4-10-16-20)24(34)27-28-25(35)22-26-23(18-11-5-2-6-12-18)32(31-22)19-13-7-3-8-14-19/h2-16H,1H3,(H,27,34)(H,28,35)
InChIKeyBFYUJBAOWZFRSO-UHFFFAOYSA-N
XLogP2.90
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 35929530
N'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2448076
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide
CID 135968921
N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 46666855
5-methyl-2-phenyltriazole-4-carbohydrazide
CID 2774345
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 47798363
5-methyl-N'-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetyl]-2-phenyltriazole-4-carbohydrazide
CID 6737187
N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 39710711
N'-(oxane-4-carbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 30992875
methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate
CID 1211357
N'-[4-(3,5-ditert-butylpyrazol-1-yl)benzoyl]-5-methyl-2-phenyltriazole-4-carbohydrazide
CID 6733170

Frequently Asked Questions

What is the IUPAC name of N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-5-methyl-2-phenyltriazole-4-carbohydrazide?
The IUPAC name of N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-5-methyl-2-phenyltriazole-4-carbohydrazide (CID 46652364) is N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-5-methyl-2-phenyltriazole-4-carbohydrazide.
What is the SMILES notation for N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-5-methyl-2-phenyltriazole-4-carbohydrazide?
The canonical SMILES for N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-5-methyl-2-phenyltriazole-4-carbohydrazide is Cc1nn(-c2ccccc2)nc1C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-5-methyl-2-phenyltriazole-4-carbohydrazide?
The InChIKey is BFYUJBAOWZFRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N8O2/c1-17-21(30-33(29-17)20-15-9-4-10-16-20)24(34)27-28-25(35)22-26-23(18-11-5-2-6-12-18)32(31-22)19-13-7-3-8-14-19/h2-16H,1H3,(H,27,34)(H,28,35).
What are the key properties of N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-5-methyl-2-phenyltriazole-4-carbohydrazide?
N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-5-methyl-2-phenyltriazole-4-carbohydrazide has a molecular weight of 464.49 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-5-methyl-2-phenyltriazole-4-carbohydrazide is sourced from PubChem (CID 46652364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).