2-methyl-6-[(E)-1,3,5-triazin-2-yliminomethyl]phenol

C11H10N4O — CID 135967228

IUPAC2-methyl-6-[(E)-1,3,5-triazin-2-yliminomethyl]phenol
SMILESCc1cccc(/C=N/c2ncncn2)c1O
InChIInChI=1S/C11H10N4O/c1-8-3-2-4-9(10(8)16)5-13-11-14-6-12-7-15-11/h2-7,16H,1H3/b13-5+
InChIKeySEHSWTSOLWNVQW-WLRTZDKTSA-N
MW214.23 g/mol
LogP1.64
Rot. Bonds2

About 2-methyl-6-[(E)-1,3,5-triazin-2-yliminomethyl]phenol

2-methyl-6-[(E)-1,3,5-triazin-2-yliminomethyl]phenol (PubChem CID 135967228) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-methyl-6-[(E)-1,3,5-triazin-2-yliminomethyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[(E)-1,3,5-triazin-2-yliminomethyl]phenol
PubChem CID135967228
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name2-methyl-6-[(E)-1,3,5-triazin-2-yliminomethyl]phenol
SMILESCc1cccc(/C=N/c2ncncn2)c1O
InChIInChI=1S/C11H10N4O/c1-8-3-2-4-9(10(8)16)5-13-11-14-6-12-7-15-11/h2-7,16H,1H3/b13-5+
InChIKeySEHSWTSOLWNVQW-WLRTZDKTSA-N
XLogP1.64
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[(E)-pyrimidin-2-yliminomethyl]phenol;trichlorotantalum
CID 135967215
carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135967147
2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol
CID 135997411
dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol
CID 174611638
2-methyl-6-[(2-methyl-6-methylsulfanylphenyl)iminomethyl]phenol
CID 164862973
2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methylphenol
CID 1224312
2-methoxy-6-[(3-methyl-2-pyridinyl)iminomethyl]phenol
CID 564866
2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol
CID 137256616
2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657455
dichlorozirconium;2-[3-[(2-hydroxy-3-methylphenyl)methylideneamino]propyliminomethyl]-6-methylphenol
CID 135997406
2-[[2-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylpropyl]iminomethyl]-6-methylphenol
CID 136745314
2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol
CID 136690856

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(E)-1,3,5-triazin-2-yliminomethyl]phenol?
The IUPAC name of 2-methyl-6-[(E)-1,3,5-triazin-2-yliminomethyl]phenol (CID 135967228) is 2-methyl-6-[(E)-1,3,5-triazin-2-yliminomethyl]phenol.
What is the SMILES notation for 2-methyl-6-[(E)-1,3,5-triazin-2-yliminomethyl]phenol?
The canonical SMILES for 2-methyl-6-[(E)-1,3,5-triazin-2-yliminomethyl]phenol is Cc1cccc(/C=N/c2ncncn2)c1O.
What is the InChIKey of 2-methyl-6-[(E)-1,3,5-triazin-2-yliminomethyl]phenol?
The InChIKey is SEHSWTSOLWNVQW-WLRTZDKTSA-N. The full InChI is InChI=1S/C11H10N4O/c1-8-3-2-4-9(10(8)16)5-13-11-14-6-12-7-15-11/h2-7,16H,1H3/b13-5+.
What are the key properties of 2-methyl-6-[(E)-1,3,5-triazin-2-yliminomethyl]phenol?
2-methyl-6-[(E)-1,3,5-triazin-2-yliminomethyl]phenol has a molecular weight of 214.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(E)-1,3,5-triazin-2-yliminomethyl]phenol is sourced from PubChem (CID 135967228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).