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

C15H17N3O3 — CID 105363214

IUPAC2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-5-methylbenzoic acid
SMILESCCc1nnc(Oc2ccc(C)cc2C(=O)O)nc1CC
InChIInChI=1S/C15H17N3O3/c1-4-11-12(5-2)17-18-15(16-11)21-13-7-6-9(3)8-10(13)14(19)20/h6-8H,4-5H2,1-3H3,(H,19,20)
InChIKeyVJYFXPJJSQNLFQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.80
Rot. Bonds5

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

2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-5-methylbenzoic acid (PubChem CID 105363214) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-5-methylbenzoic acid
PubChem CID105363214
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-5-methylbenzoic acid
SMILESCCc1nnc(Oc2ccc(C)cc2C(=O)O)nc1CC
InChIInChI=1S/C15H17N3O3/c1-4-11-12(5-2)17-18-15(16-11)21-13-7-6-9(3)8-10(13)14(19)20/h6-8H,4-5H2,1-3H3,(H,19,20)
InChIKeyVJYFXPJJSQNLFQ-UHFFFAOYSA-N
XLogP2.80
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-5-fluorobenzoic acid
CID 105363223
4-chloro-2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]benzoic acid
CID 105363210
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-5-methylbenzoic acid
CID 65274789
2-(5-fluoropyrimidin-2-yl)oxy-5-methylbenzoic acid
CID 104606523
2-(3,5-dimethylphenoxy)-5-methylbenzoic acid
CID 55192437
5-methyl-2-quinazolin-2-yloxybenzoic acid
CID 114789657
2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid
CID 61396292
5-methyl-2-nonoxybenzoic acid
CID 63463067
5-methyl-2-pyridazin-3-yloxybenzoic acid
CID 62481837
5-methyl-2-(2-propoxyphenoxy)benzoic acid
CID 62514617
5-methyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzoic acid
CID 61396308
2-aminooxy-5-methylbenzoic acid
CID 154678313

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-5-methylbenzoic acid?
The IUPAC name of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-5-methylbenzoic acid (CID 105363214) is 2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-5-methylbenzoic acid.
What is the SMILES notation for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-5-methylbenzoic acid?
The canonical SMILES for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-5-methylbenzoic acid is CCc1nnc(Oc2ccc(C)cc2C(=O)O)nc1CC.
What is the InChIKey of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-5-methylbenzoic acid?
The InChIKey is VJYFXPJJSQNLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-4-11-12(5-2)17-18-15(16-11)21-13-7-6-9(3)8-10(13)14(19)20/h6-8H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-5-methylbenzoic acid?
2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-5-methylbenzoic acid has a molecular weight of 287.32 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-5-methylbenzoic acid is sourced from PubChem (CID 105363214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).