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

C24H23N7O2 — CID 6302561

IUPAC5-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol
SMILESCCOc1ccc(/C=N\Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1O
InChIInChI=1S/C24H23N7O2/c1-2-33-21-14-13-17(15-20(21)32)16-25-31-24-29-22(26-18-9-5-3-6-10-18)28-23(30-24)27-19-11-7-4-8-12-19/h3-16,32H,2H2,1H3,(H3,26,27,28,29,30,31)/b25-16-
InChIKeyATBWANLVTLIXNV-XYGWBWBKSA-N
MW441.50 g/mol
LogP4.91
Rot. Bonds9

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

5-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol (PubChem CID 6302561) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 5-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol.

Molecular Properties

Compound Name5-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol
PubChem CID6302561
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name5-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol
SMILESCCOc1ccc(/C=N\Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1O
InChIInChI=1S/C24H23N7O2/c1-2-33-21-14-13-17(15-20(21)32)16-25-31-24-29-22(26-18-9-5-3-6-10-18)28-23(30-24)27-19-11-7-4-8-12-19/h3-16,32H,2H2,1H3,(H3,26,27,28,29,30,31)/b25-16-
InChIKeyATBWANLVTLIXNV-XYGWBWBKSA-N
XLogP4.91
TPSA116.58 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 54.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

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Related Compounds

2-N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 50870749
4-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 135489944
4-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 2861744
2-N-[(3,4-diethoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 3647634
2-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6245512
5-[(E)-[[4-(benzylamino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 18552485
2-N-[(Z)-[4-[(Z)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl]methylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 6288005
4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135620435
4-[(E)-[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135722691
2-N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 98095090
N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline
CID 169382210
2-[4-[(E)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-1-morpholin-4-ylethanone
CID 126211379

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol?
The IUPAC name of 5-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol (CID 6302561) is 5-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol.
What is the SMILES notation for 5-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol?
The canonical SMILES for 5-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol is CCOc1ccc(/C=N\Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1O.
What is the InChIKey of 5-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol?
The InChIKey is ATBWANLVTLIXNV-XYGWBWBKSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-2-33-21-14-13-17(15-20(21)32)16-25-31-24-29-22(26-18-9-5-3-6-10-18)28-23(30-24)27-19-11-7-4-8-12-19/h3-16,32H,2H2,1H3,(H3,26,27,28,29,30,31)/b25-16-.
What are the key properties of 5-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol?
5-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol has a molecular weight of 441.50 g/mol, XLogP of 4.91, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol is sourced from PubChem (CID 6302561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).