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

C22H19N7O2 — CID 136919744

IUPAC4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N\Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c(O)c1
InChIInChI=1S/C22H19N7O2/c30-18-12-11-15(19(31)13-18)14-23-29-22-27-20(24-16-7-3-1-4-8-16)26-21(28-22)25-17-9-5-2-6-10-17/h1-14,30-31H,(H3,24,25,26,27,28,29)/b23-14-
InChIKeyPAVYNXVAYPYRFY-UCQKPKSFSA-N
MW413.44 g/mol
LogP4.22
Rot. Bonds7

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

4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 136919744) has the molecular formula C22H19N7O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is 4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID136919744
Molecular FormulaC22H19N7O2
Molecular Weight413.44 g/mol
Exact Mass413.16
IUPAC Name4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N\Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c(O)c1
InChIInChI=1S/C22H19N7O2/c30-18-12-11-15(19(31)13-18)14-23-29-22-27-20(24-16-7-3-1-4-8-16)26-21(28-22)25-17-9-5-2-6-10-17/h1-14,30-31H,(H3,24,25,26,27,28,29)/b23-14-
InChIKeyPAVYNXVAYPYRFY-UCQKPKSFSA-N
XLogP4.22
TPSA127.58 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 54.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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'}

Analyze 4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol with MolForge

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

Launch Full Analysis

Related Compounds

4-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135905107
4-[(E)-[[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 137185504
2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135419565
4-[(E)-[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135722691
2,4-dibromo-6-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136680616
2-[(Z)-[[4-anilino-6-(2,4-dimethylanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135887721
4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 2847290
4-[(4-anilinophenyl)iminomethyl]benzene-1,3-diol
CID 788003
4-bromo-2-chloro-6-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 137084979
2-[(E)-[[4-anilino-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-nitrophenol
CID 135637772
6-bromo-3-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 3101860
2-[(E)-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol;6-chloro-2-N,4-N-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine;2,4,6-trichloro-1,3,5-triazine
CID 172948693

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol (CID 136919744) is 4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol is Oc1ccc(/C=N\Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c(O)c1.
What is the InChIKey of 4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is PAVYNXVAYPYRFY-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H19N7O2/c30-18-12-11-15(19(31)13-18)14-23-29-22-27-20(24-16-7-3-1-4-8-16)26-21(28-22)25-17-9-5-2-6-10-17/h1-14,30-31H,(H3,24,25,26,27,28,29)/b23-14-.
What are the key properties of 4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 413.44 g/mol, XLogP of 4.22, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 136919744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).