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

C22H17N5O2 — CID 2847290

IUPAC4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(C=NNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(O)c1
InChIInChI=1S/C22H17N5O2/c28-18-12-11-17(19(29)13-18)14-23-26-22-24-20(15-7-3-1-4-8-15)21(25-27-22)16-9-5-2-6-10-16/h1-14,28-29H,(H,24,26,27)
InChIKeyRUVGEGFJSMBYBG-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.06
Rot. Bonds5

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

4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 2847290) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID2847290
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(C=NNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(O)c1
InChIInChI=1S/C22H17N5O2/c28-18-12-11-17(19(29)13-18)14-23-26-22-24-20(15-7-3-1-4-8-15)21(25-27-22)16-9-5-2-6-10-16/h1-14,28-29H,(H,24,26,27)
InChIKeyRUVGEGFJSMBYBG-UHFFFAOYSA-N
XLogP4.06
TPSA103.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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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Related Compounds

4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136919744
4-[(E)-[[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 137185504
1-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 2848301
4-bromo-2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]-6-methoxyphenol
CID 135538935
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
CID 6789971
2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 135398939
N-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
CID 2846735
5,6-diphenyl-N-[(E)-1-phenylethylideneamino]-1,2,4-triazin-3-amine
CID 5333742
4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol
CID 3134920
4-[[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 3634846
4-[(E)-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135490772
2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 135822458

Frequently Asked Questions

What is the IUPAC name of 4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]benzene-1,3-diol (CID 2847290) is 4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]benzene-1,3-diol is Oc1ccc(C=NNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(O)c1.
What is the InChIKey of 4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is RUVGEGFJSMBYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c28-18-12-11-17(19(29)13-18)14-23-26-22-24-20(15-7-3-1-4-8-15)21(25-27-22)16-9-5-2-6-10-16/h1-14,28-29H,(H,24,26,27).
What are the key properties of 4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]benzene-1,3-diol?
4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 383.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 2847290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).