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

C22H16ClN5O2 — CID 35929530

IUPACN'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1Cl)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C22H16ClN5O2/c23-18-14-8-7-13-17(18)21(29)25-26-22(30)19-24-20(15-9-3-1-4-10-15)28(27-19)16-11-5-2-6-12-16/h1-14H,(H,25,29)(H,26,30)
InChIKeyAALMFHBEPJBWAU-UHFFFAOYSA-N
MW417.86 g/mol
LogP3.66
Rot. Bonds4

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

N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide (PubChem CID 35929530) has the molecular formula C22H16ClN5O2 and a molecular weight of 417.86 g/mol. Its IUPAC name is N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
PubChem CID35929530
Molecular FormulaC22H16ClN5O2
Molecular Weight417.86 g/mol
Exact Mass417.10
IUPAC NameN'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1Cl)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C22H16ClN5O2/c23-18-14-8-7-13-17(18)21(29)25-26-22(30)19-24-20(15-9-3-1-4-10-15)28(27-19)16-11-5-2-6-12-16/h1-14H,(H,25,29)(H,26,30)
InChIKeyAALMFHBEPJBWAU-UHFFFAOYSA-N
XLogP3.66
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide?
The IUPAC name of N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide (CID 35929530) is N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide.
What is the SMILES notation for N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide?
The canonical SMILES for N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide is O=C(NNC(=O)c1ccccc1Cl)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide?
The InChIKey is AALMFHBEPJBWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O2/c23-18-14-8-7-13-17(18)21(29)25-26-22(30)19-24-20(15-9-3-1-4-10-15)28(27-19)16-11-5-2-6-12-16/h1-14H,(H,25,29)(H,26,30).
What are the key properties of N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide?
N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide has a molecular weight of 417.86 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide is sourced from PubChem (CID 35929530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).