2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]acetic acid

C7H9N3O5 — CID 114335264

IUPAC2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]acetic acid
SMILESCOc1nc(OC)nc(OCC(=O)O)n1
InChIInChI=1S/C7H9N3O5/c1-13-5-8-6(14-2)10-7(9-5)15-3-4(11)12/h3H2,1-2H3,(H,11,12)
InChIKeyRNYLELRFAWMHKT-UHFFFAOYSA-N
MW215.16 g/mol
LogP-0.65
Rot. Bonds5

About 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]acetic acid

2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]acetic acid (PubChem CID 114335264) has the molecular formula C7H9N3O5 and a molecular weight of 215.16 g/mol. Its IUPAC name is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]acetic acid
PubChem CID114335264
Molecular FormulaC7H9N3O5
Molecular Weight215.16 g/mol
Exact Mass215.05
IUPAC Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]acetic acid
SMILESCOc1nc(OC)nc(OCC(=O)O)n1
InChIInChI=1S/C7H9N3O5/c1-13-5-8-6(14-2)10-7(9-5)15-3-4(11)12/h3H2,1-2H3,(H,11,12)
InChIKeyRNYLELRFAWMHKT-UHFFFAOYSA-N
XLogP-0.65
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Sym-triazinyloxyacetic acid
CID 129787018
2-[(4,6-Dichloro-1,3,5-triazin-2-yl)oxy]acetic acid
CID 14512346
2-[[4,6-Bis(1-carboxyethoxy)-1,3,5-triazin-2-yl]oxy]propanoic acid
CID 59772069
2-[(4-Amino-6-methoxy-1,3,5-triazin-2-yl)oxy]propanoic acid
CID 67900886
Methyl 2-methoxyacetate;1,3,5-triazine-2,4,6-triamine
CID 69403457
Methoxymethane;methyl 2-hydroxyacetate;1,3,5-triazine-2,4,6-triamine
CID 70520922
Methyl melamine glycolate methyl ether
CID 70520923
2-Hydroxyacetic acid;methoxymethane;1,3,5-triazine-2,4,6-triamine
CID 70523701
2-Methoxyacetic acid;1,3,5-triazine-2,4,6-triamine
CID 70523702
2-[[4-(Carboxymethoxy)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetic acid
CID 158815151
Methyl 2-[[4,6-bis(2-methoxy-2-oxoethoxy)-1,3,5-triazin-2-yl]oxy]acetate
CID 168105148
2-O-[4,6-bis[(2-ethoxy-2-oxoacetyl)oxy]-1,3,5-triazin-2-yl] 1-O-ethyl oxalate
CID 16663500

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]acetic acid?
The IUPAC name of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]acetic acid (CID 114335264) is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]acetic acid?
The canonical SMILES for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]acetic acid is COc1nc(OC)nc(OCC(=O)O)n1.
What is the InChIKey of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]acetic acid?
The InChIKey is RNYLELRFAWMHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O5/c1-13-5-8-6(14-2)10-7(9-5)15-3-4(11)12/h3H2,1-2H3,(H,11,12).
What are the key properties of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]acetic acid?
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]acetic acid has a molecular weight of 215.16 g/mol, XLogP of -0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]acetic acid is sourced from PubChem (CID 114335264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).