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

C22H18N6O3 — CID 39983253

IUPACN'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-2-methoxypyridine-3-carbohydrazide
SMILESCOc1ncccc1C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C22H18N6O3/c1-31-22-17(13-8-14-23-22)20(29)25-26-21(30)18-24-19(15-9-4-2-5-10-15)28(27-18)16-11-6-3-7-12-16/h2-14H,1H3,(H,25,29)(H,26,30)
InChIKeyFTECEVWLFMUMQC-UHFFFAOYSA-N
MW414.43 g/mol
LogP2.41
Rot. Bonds5

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

N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-2-methoxypyridine-3-carbohydrazide (PubChem CID 39983253) has the molecular formula C22H18N6O3 and a molecular weight of 414.43 g/mol. Its IUPAC name is N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-2-methoxypyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-2-methoxypyridine-3-carbohydrazide
PubChem CID39983253
Molecular FormulaC22H18N6O3
Molecular Weight414.43 g/mol
Exact Mass414.14
IUPAC NameN'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-2-methoxypyridine-3-carbohydrazide
SMILESCOc1ncccc1C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C22H18N6O3/c1-31-22-17(13-8-14-23-22)20(29)25-26-21(30)18-24-19(15-9-4-2-5-10-15)28(27-18)16-11-6-3-7-12-16/h2-14H,1H3,(H,25,29)(H,26,30)
InChIKeyFTECEVWLFMUMQC-UHFFFAOYSA-N
XLogP2.41
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-2-methoxypyridine-3-carbohydrazide?
The IUPAC name of N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-2-methoxypyridine-3-carbohydrazide (CID 39983253) is N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-2-methoxypyridine-3-carbohydrazide.
What is the SMILES notation for N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-2-methoxypyridine-3-carbohydrazide?
The canonical SMILES for N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-2-methoxypyridine-3-carbohydrazide is COc1ncccc1C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-2-methoxypyridine-3-carbohydrazide?
The InChIKey is FTECEVWLFMUMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O3/c1-31-22-17(13-8-14-23-22)20(29)25-26-21(30)18-24-19(15-9-4-2-5-10-15)28(27-18)16-11-6-3-7-12-16/h2-14H,1H3,(H,25,29)(H,26,30).
What are the key properties of N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-2-methoxypyridine-3-carbohydrazide?
N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-2-methoxypyridine-3-carbohydrazide has a molecular weight of 414.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-2-methoxypyridine-3-carbohydrazide is sourced from PubChem (CID 39983253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).