2,6-ditert-butyl-4-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol

C19H26N4O — CID 135423671

IUPAC2,6-ditert-butyl-4-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol
SMILESCC(C)(C)c1cc(/C=N/Nc2cnccn2)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H26N4O/c1-18(2,3)14-9-13(10-15(17(14)24)19(4,5)6)11-22-23-16-12-20-7-8-21-16/h7-12,24H,1-6H3,(H,21,23)/b22-11+
InChIKeyQVGZGEGDNGWUQQ-SSDVNMTOSA-N
MW326.44 g/mol
LogP4.22
Rot. Bonds3

About 2,6-ditert-butyl-4-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol

2,6-ditert-butyl-4-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol (PubChem CID 135423671) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol
PubChem CID135423671
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2,6-ditert-butyl-4-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol
SMILESCC(C)(C)c1cc(/C=N/Nc2cnccn2)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H26N4O/c1-18(2,3)14-9-13(10-15(17(14)24)19(4,5)6)11-22-23-16-12-20-7-8-21-16/h7-12,24H,1-6H3,(H,21,23)/b22-11+
InChIKeyQVGZGEGDNGWUQQ-SSDVNMTOSA-N
XLogP4.22
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol (CID 135423671) is 2,6-ditert-butyl-4-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol is CC(C)(C)c1cc(/C=N/Nc2cnccn2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is QVGZGEGDNGWUQQ-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H26N4O/c1-18(2,3)14-9-13(10-15(17(14)24)19(4,5)6)11-22-23-16-12-20-7-8-21-16/h7-12,24H,1-6H3,(H,21,23)/b22-11+.
What are the key properties of 2,6-ditert-butyl-4-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol?
2,6-ditert-butyl-4-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 326.44 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135423671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).