2-[(E)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]phenol

C13H13N3O — CID 136817331

IUPAC2-[(E)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]phenol
SMILESCc1nc(C)nc(/C=C/c2ccccc2O)n1
InChIInChI=1S/C13H13N3O/c1-9-14-10(2)16-13(15-9)8-7-11-5-3-4-6-12(11)17/h3-8,17H,1-2H3/b8-7+
InChIKeyVOEZQBRHDKGOEB-BQYQJAHWSA-N
MW227.27 g/mol
LogP2.36
Rot. Bonds2

About 2-[(E)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]phenol

2-[(E)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]phenol (PubChem CID 136817331) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-[(E)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]phenol.

Molecular Properties

Compound Name2-[(E)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]phenol
PubChem CID136817331
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-[(E)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]phenol
SMILESCc1nc(C)nc(/C=C/c2ccccc2O)n1
InChIInChI=1S/C13H13N3O/c1-9-14-10(2)16-13(15-9)8-7-11-5-3-4-6-12(11)17/h3-8,17H,1-2H3/b8-7+
InChIKeyVOEZQBRHDKGOEB-BQYQJAHWSA-N
XLogP2.36
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[2-(4-fluorophenyl)ethenyl]-4,6-dimethyl-1,3,5-triazine
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(2-hydroxyphenyl)methylideneiron
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CID 135794308
2-[2-(1H-benzimidazol-2-yl)ethenyl]phenol
CID 137201342
2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenol
CID 23028027
4-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenol
CID 68737342
4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54133293
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CID 89362238

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]phenol?
The IUPAC name of 2-[(E)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]phenol (CID 136817331) is 2-[(E)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]phenol.
What is the SMILES notation for 2-[(E)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]phenol?
The canonical SMILES for 2-[(E)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]phenol is Cc1nc(C)nc(/C=C/c2ccccc2O)n1.
What is the InChIKey of 2-[(E)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]phenol?
The InChIKey is VOEZQBRHDKGOEB-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9-14-10(2)16-13(15-9)8-7-11-5-3-4-6-12(11)17/h3-8,17H,1-2H3/b8-7+.
What are the key properties of 2-[(E)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]phenol?
2-[(E)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]phenol has a molecular weight of 227.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]phenol is sourced from PubChem (CID 136817331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).