4-[(E)-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol

C22H17N5O — CID 135437619

IUPAC4-[(E)-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H17N5O/c28-19-13-11-16(12-14-19)15-23-26-22-24-20(17-7-3-1-4-8-17)21(25-27-22)18-9-5-2-6-10-18/h1-15,28H,(H,24,26,27)/b23-15+
InChIKeyNTQRIKNQVQNTLL-HZHRSRAPSA-N
MW367.41 g/mol
LogP4.36
Rot. Bonds5

About 4-[(E)-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol

4-[(E)-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol (PubChem CID 135437619) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[(E)-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol
PubChem CID135437619
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name4-[(E)-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H17N5O/c28-19-13-11-16(12-14-19)15-23-26-22-24-20(17-7-3-1-4-8-17)21(25-27-22)18-9-5-2-6-10-18/h1-15,28H,(H,24,26,27)/b23-15+
InChIKeyNTQRIKNQVQNTLL-HZHRSRAPSA-N
XLogP4.36
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol (CID 135437619) is 4-[(E)-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol is Oc1ccc(/C=N/Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[(E)-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol?
The InChIKey is NTQRIKNQVQNTLL-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H17N5O/c28-19-13-11-16(12-14-19)15-23-26-22-24-20(17-7-3-1-4-8-17)21(25-27-22)18-9-5-2-6-10-18/h1-15,28H,(H,24,26,27)/b23-15+.
What are the key properties of 4-[(E)-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol?
4-[(E)-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol has a molecular weight of 367.41 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135437619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).