2,4,6-trimethyl-3-(pyrazin-2-ylmethylideneamino)phenol

C14H15N3O — CID 23569050

IUPAC2,4,6-trimethyl-3-(pyrazin-2-ylmethylideneamino)phenol
SMILESCc1cc(C)c(/N=C/c2cnccn2)c(C)c1O
InChIInChI=1S/C14H15N3O/c1-9-6-10(2)14(18)11(3)13(9)17-8-12-7-15-4-5-16-12/h4-8,18H,1-3H3/b17-8+
InChIKeyMMBBLOVQARDROI-CAOOACKPSA-N
MW241.29 g/mol
LogP2.86
Rot. Bonds2

About 2,4,6-trimethyl-3-(pyrazin-2-ylmethylideneamino)phenol

2,4,6-trimethyl-3-(pyrazin-2-ylmethylideneamino)phenol (PubChem CID 23569050) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2,4,6-trimethyl-3-(pyrazin-2-ylmethylideneamino)phenol.

Molecular Properties

Compound Name2,4,6-trimethyl-3-(pyrazin-2-ylmethylideneamino)phenol
PubChem CID23569050
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2,4,6-trimethyl-3-(pyrazin-2-ylmethylideneamino)phenol
SMILESCc1cc(C)c(/N=C/c2cnccn2)c(C)c1O
InChIInChI=1S/C14H15N3O/c1-9-6-10(2)14(18)11(3)13(9)17-8-12-7-15-4-5-16-12/h4-8,18H,1-3H3/b17-8+
InChIKeyMMBBLOVQARDROI-CAOOACKPSA-N
XLogP2.86
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-3-(pyrazin-2-ylmethylideneamino)phenol?
The IUPAC name of 2,4,6-trimethyl-3-(pyrazin-2-ylmethylideneamino)phenol (CID 23569050) is 2,4,6-trimethyl-3-(pyrazin-2-ylmethylideneamino)phenol.
What is the SMILES notation for 2,4,6-trimethyl-3-(pyrazin-2-ylmethylideneamino)phenol?
The canonical SMILES for 2,4,6-trimethyl-3-(pyrazin-2-ylmethylideneamino)phenol is Cc1cc(C)c(/N=C/c2cnccn2)c(C)c1O.
What is the InChIKey of 2,4,6-trimethyl-3-(pyrazin-2-ylmethylideneamino)phenol?
The InChIKey is MMBBLOVQARDROI-CAOOACKPSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-6-10(2)14(18)11(3)13(9)17-8-12-7-15-4-5-16-12/h4-8,18H,1-3H3/b17-8+.
What are the key properties of 2,4,6-trimethyl-3-(pyrazin-2-ylmethylideneamino)phenol?
2,4,6-trimethyl-3-(pyrazin-2-ylmethylideneamino)phenol has a molecular weight of 241.29 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3-(pyrazin-2-ylmethylideneamino)phenol is sourced from PubChem (CID 23569050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).