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

C21H21N5O3 — CID 30992875

IUPACN'-(oxane-4-carbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCOCC1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C21H21N5O3/c27-20(16-11-13-29-14-12-16)23-24-21(28)18-22-19(15-7-3-1-4-8-15)26(25-18)17-9-5-2-6-10-17/h1-10,16H,11-14H2,(H,23,27)(H,24,28)
InChIKeyCHARNHZKIDYZMV-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.12
Rot. Bonds4

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

N'-(oxane-4-carbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide (PubChem CID 30992875) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N'-(oxane-4-carbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(oxane-4-carbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
PubChem CID30992875
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN'-(oxane-4-carbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCOCC1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C21H21N5O3/c27-20(16-11-13-29-14-12-16)23-24-21(28)18-22-19(15-7-3-1-4-8-15)26(25-18)17-9-5-2-6-10-17/h1-10,16H,11-14H2,(H,23,27)(H,24,28)
InChIKeyCHARNHZKIDYZMV-UHFFFAOYSA-N
XLogP2.12
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(oxane-4-carbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(oxane-4-carbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide?
The IUPAC name of N'-(oxane-4-carbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide (CID 30992875) is N'-(oxane-4-carbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide.
What is the SMILES notation for N'-(oxane-4-carbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide?
The canonical SMILES for N'-(oxane-4-carbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide is O=C(NNC(=O)C1CCOCC1)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N'-(oxane-4-carbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide?
The InChIKey is CHARNHZKIDYZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c27-20(16-11-13-29-14-12-16)23-24-21(28)18-22-19(15-7-3-1-4-8-15)26(25-18)17-9-5-2-6-10-17/h1-10,16H,11-14H2,(H,23,27)(H,24,28).
What are the key properties of N'-(oxane-4-carbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide?
N'-(oxane-4-carbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide has a molecular weight of 391.43 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxane-4-carbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide is sourced from PubChem (CID 30992875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).