1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyridin-1-ium-3-ol

C10H11N4O3+ — CID 3796853

IUPAC1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyridin-1-ium-3-ol
SMILESCOc1nc(OC)nc(-[n+]2cccc(O)c2)n1
InChIInChI=1S/C10H10N4O3/c1-16-9-11-8(12-10(13-9)17-2)14-5-3-4-7(15)6-14/h3-6H,1-2H3/p+1
InChIKeyAQQKAGORGALTGM-UHFFFAOYSA-O
MW235.22 g/mol
LogP-0.13
Rot. Bonds3

About 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyridin-1-ium-3-ol

1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyridin-1-ium-3-ol (PubChem CID 3796853) has the molecular formula C10H11N4O3+ and a molecular weight of 235.22 g/mol. Its IUPAC name is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyridin-1-ium-3-ol.

Molecular Properties

Compound Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyridin-1-ium-3-ol
PubChem CID3796853
Molecular FormulaC10H11N4O3+
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyridin-1-ium-3-ol
SMILESCOc1nc(OC)nc(-[n+]2cccc(O)c2)n1
InChIInChI=1S/C10H10N4O3/c1-16-9-11-8(12-10(13-9)17-2)14-5-3-4-7(15)6-14/h3-6H,1-2H3/p+1
InChIKeyAQQKAGORGALTGM-UHFFFAOYSA-O
XLogP-0.13
TPSA81.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinolin-1-ium
CID 156770604
1-(5-phenyl-1,2,4-triazin-3-yl)pyridin-1-ium-3-ol chloride
CID 44887667
2-(3-hydroxypyridin-1-ium-1-yl)benzene-1,4-diol chloride
CID 44887348
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-hydroxybenzaldehyde
CID 19778876
2-[[2-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydrazinyl]methyl]phenol
CID 150722985
4-(2-methoxypyrimidin-5-yl)phenol
CID 91659211
methoxymethane;phenol
CID 18763564
4-[2-[[4-[2-[4-[[4-[2-(4-hydroxyphenyl)sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenol
CID 22131589
2-O-(4,6-dimethoxy-1,3,5-triazin-2-yl) 1-O-methyl benzene-1,2-dicarboxylate
CID 10734366
anisole;ethane;iodomethane;phenol
CID 143200210
2,4-dimethoxy-6-(2-phenylethenyl)-1,3,5-triazine
CID 86053148
1-(4-methoxyphenyl)pyridin-1-ium;dihydrochloride
CID 175485719

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyridin-1-ium-3-ol?
The IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyridin-1-ium-3-ol (CID 3796853) is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyridin-1-ium-3-ol.
What is the SMILES notation for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyridin-1-ium-3-ol?
The canonical SMILES for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyridin-1-ium-3-ol is COc1nc(OC)nc(-[n+]2cccc(O)c2)n1.
What is the InChIKey of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyridin-1-ium-3-ol?
The InChIKey is AQQKAGORGALTGM-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10N4O3/c1-16-9-11-8(12-10(13-9)17-2)14-5-3-4-7(15)6-14/h3-6H,1-2H3/p+1.
What are the key properties of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyridin-1-ium-3-ol?
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyridin-1-ium-3-ol has a molecular weight of 235.22 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyridin-1-ium-3-ol is sourced from PubChem (CID 3796853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).