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

C19H25N7O2 — CID 135512327

IUPAC2-[(E)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1O
InChIInChI=1S/C19H25N7O2/c1-28-15-8-6-7-14(16(15)27)13-20-24-17-21-18(25-9-2-3-10-25)23-19(22-17)26-11-4-5-12-26/h6-8,13,27H,2-5,9-12H2,1H3,(H,21,22,23,24)/b20-13+
InChIKeyXNWDIZDSFYAREL-DEDYPNTBSA-N
MW383.46 g/mol
LogP2.23
Rot. Bonds6

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

2-[(E)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol (PubChem CID 135512327) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-[(E)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(E)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol
PubChem CID135512327
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name2-[(E)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1O
InChIInChI=1S/C19H25N7O2/c1-28-15-8-6-7-14(16(15)27)13-20-24-17-21-18(25-9-2-3-10-25)23-19(22-17)26-11-4-5-12-26/h6-8,13,27H,2-5,9-12H2,1H3,(H,21,22,23,24)/b20-13+
InChIKeyXNWDIZDSFYAREL-DEDYPNTBSA-N
XLogP2.23
TPSA99.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol?
The IUPAC name of 2-[(E)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol (CID 135512327) is 2-[(E)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(E)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[(E)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol is COc1cccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1O.
What is the InChIKey of 2-[(E)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol?
The InChIKey is XNWDIZDSFYAREL-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-28-15-8-6-7-14(16(15)27)13-20-24-17-21-18(25-9-2-3-10-25)23-19(22-17)26-11-4-5-12-26/h6-8,13,27H,2-5,9-12H2,1H3,(H,21,22,23,24)/b20-13+.
What are the key properties of 2-[(E)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol?
2-[(E)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol has a molecular weight of 383.46 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol is sourced from PubChem (CID 135512327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).