3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]pyridine-2-carboxylic acid

C11H10N4O3 — CID 114787467

IUPAC3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]pyridine-2-carboxylic acid
SMILESCc1nnc(Oc2cccnc2C(=O)O)nc1C
InChIInChI=1S/C11H10N4O3/c1-6-7(2)14-15-11(13-6)18-8-4-3-5-12-9(8)10(16)17/h3-5H,1-2H3,(H,16,17)
InChIKeyFAWQQMYSSSCXPL-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.37
Rot. Bonds3

About 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]pyridine-2-carboxylic acid

3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]pyridine-2-carboxylic acid (PubChem CID 114787467) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]pyridine-2-carboxylic acid
PubChem CID114787467
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]pyridine-2-carboxylic acid
SMILESCc1nnc(Oc2cccnc2C(=O)O)nc1C
InChIInChI=1S/C11H10N4O3/c1-6-7(2)14-15-11(13-6)18-8-4-3-5-12-9(8)10(16)17/h3-5H,1-2H3,(H,16,17)
InChIKeyFAWQQMYSSSCXPL-UHFFFAOYSA-N
XLogP1.37
TPSA98.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]pyridine-2-carboxylic acid (CID 114787467) is 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]pyridine-2-carboxylic acid is Cc1nnc(Oc2cccnc2C(=O)O)nc1C.
What is the InChIKey of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]pyridine-2-carboxylic acid?
The InChIKey is FAWQQMYSSSCXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-6-7(2)14-15-11(13-6)18-8-4-3-5-12-9(8)10(16)17/h3-5H,1-2H3,(H,16,17).
What are the key properties of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]pyridine-2-carboxylic acid?
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]pyridine-2-carboxylic acid has a molecular weight of 246.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 114787467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).