4-methoxy-2-methylimidazo[1,2-a][1,3,5]triazine-6-carboxylic acid

C8H8N4O3 — CID 84675823

IUPAC4-methoxy-2-methylimidazo[1,2-a][1,3,5]triazine-6-carboxylic acid
SMILESCOc1nc(C)nc2ncc(C(=O)O)n12
InChIInChI=1S/C8H8N4O3/c1-4-10-7-9-3-5(6(13)14)12(7)8(11-4)15-2/h3H,1-2H3,(H,13,14)
InChIKeyAVDMHTAIHYJMMI-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.14
Rot. Bonds2

About 4-methoxy-2-methylimidazo[1,2-a][1,3,5]triazine-6-carboxylic acid

4-methoxy-2-methylimidazo[1,2-a][1,3,5]triazine-6-carboxylic acid (PubChem CID 84675823) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is 4-methoxy-2-methylimidazo[1,2-a][1,3,5]triazine-6-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-2-methylimidazo[1,2-a][1,3,5]triazine-6-carboxylic acid
PubChem CID84675823
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Name4-methoxy-2-methylimidazo[1,2-a][1,3,5]triazine-6-carboxylic acid
SMILESCOc1nc(C)nc2ncc(C(=O)O)n12
InChIInChI=1S/C8H8N4O3/c1-4-10-7-9-3-5(6(13)14)12(7)8(11-4)15-2/h3H,1-2H3,(H,13,14)
InChIKeyAVDMHTAIHYJMMI-UHFFFAOYSA-N
XLogP0.14
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylimidazo[1,2-a][1,3,5]triazine-6-carboxylic acid?
The IUPAC name of 4-methoxy-2-methylimidazo[1,2-a][1,3,5]triazine-6-carboxylic acid (CID 84675823) is 4-methoxy-2-methylimidazo[1,2-a][1,3,5]triazine-6-carboxylic acid.
What is the SMILES notation for 4-methoxy-2-methylimidazo[1,2-a][1,3,5]triazine-6-carboxylic acid?
The canonical SMILES for 4-methoxy-2-methylimidazo[1,2-a][1,3,5]triazine-6-carboxylic acid is COc1nc(C)nc2ncc(C(=O)O)n12.
What is the InChIKey of 4-methoxy-2-methylimidazo[1,2-a][1,3,5]triazine-6-carboxylic acid?
The InChIKey is AVDMHTAIHYJMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3/c1-4-10-7-9-3-5(6(13)14)12(7)8(11-4)15-2/h3H,1-2H3,(H,13,14).
What are the key properties of 4-methoxy-2-methylimidazo[1,2-a][1,3,5]triazine-6-carboxylic acid?
4-methoxy-2-methylimidazo[1,2-a][1,3,5]triazine-6-carboxylic acid has a molecular weight of 208.18 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylimidazo[1,2-a][1,3,5]triazine-6-carboxylic acid is sourced from PubChem (CID 84675823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).