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

C23H21N7O2 — CID 135419565

IUPAC2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
SMILESCOc1ccc(Nc2nc(N/N=C/c3ccccc3O)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C23H21N7O2/c1-32-19-13-11-18(12-14-19)26-22-27-21(25-17-8-3-2-4-9-17)28-23(29-22)30-24-15-16-7-5-6-10-20(16)31/h2-15,31H,1H3,(H3,25,26,27,28,29,30)/b24-15+
InChIKeyTZBDAIDEGKNHJW-BUVRLJJBSA-N
MW427.47 g/mol
LogP4.52
Rot. Bonds8

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

2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 135419565) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is 2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
PubChem CID135419565
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC Name2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
SMILESCOc1ccc(Nc2nc(N/N=C/c3ccccc3O)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C23H21N7O2/c1-32-19-13-11-18(12-14-19)26-22-27-21(25-17-8-3-2-4-9-17)28-23(29-22)30-24-15-16-7-5-6-10-20(16)31/h2-15,31H,1H3,(H3,25,26,27,28,29,30)/b24-15+
InChIKeyTZBDAIDEGKNHJW-BUVRLJJBSA-N
XLogP4.52
TPSA116.58 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 54.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

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
2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-dibromophenol
CID 135419784
2-[(Z)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-6-nitrophenol
CID 136878215
4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136919744
2-[(Z)-[[4-anilino-6-(2,4-dimethylanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135887721
6-bromo-3-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 3101860
2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-6-bromo-4-nitrophenol
CID 135419786
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-[(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
4-N-(4-methoxyphenyl)-2-N-[(2-methoxyphenyl)methylideneamino]-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
CID 4913580
2,4-dibromo-6-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136680616

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol (CID 135419565) is 2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol is COc1ccc(Nc2nc(N/N=C/c3ccccc3O)nc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is TZBDAIDEGKNHJW-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H21N7O2/c1-32-19-13-11-18(12-14-19)26-22-27-21(25-17-8-3-2-4-9-17)28-23(29-22)30-24-15-16-7-5-6-10-20(16)31/h2-15,31H,1H3,(H3,25,26,27,28,29,30)/b24-15+.
What are the key properties of 2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol has a molecular weight of 427.47 g/mol, XLogP of 4.52, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135419565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).