3,5,6-trimethylpyridazine-4-carboxylic acid

C8H10N2O2 — CID 82652492

IUPAC3,5,6-trimethylpyridazine-4-carboxylic acid
SMILESCc1nnc(C)c(C(=O)O)c1C
InChIInChI=1S/C8H10N2O2/c1-4-5(2)9-10-6(3)7(4)8(11)12/h1-3H3,(H,11,12)
InChIKeyTXYGUBFIKNGBLS-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.10
Rot. Bonds1

About 3,5,6-trimethylpyridazine-4-carboxylic acid

3,5,6-trimethylpyridazine-4-carboxylic acid (PubChem CID 82652492) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3,5,6-trimethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3,5,6-trimethylpyridazine-4-carboxylic acid
PubChem CID82652492
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3,5,6-trimethylpyridazine-4-carboxylic acid
SMILESCc1nnc(C)c(C(=O)O)c1C
InChIInChI=1S/C8H10N2O2/c1-4-5(2)9-10-6(3)7(4)8(11)12/h1-3H3,(H,11,12)
InChIKeyTXYGUBFIKNGBLS-UHFFFAOYSA-N
XLogP1.10
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethylpyridazine-4-carboxylic acid?
The IUPAC name of 3,5,6-trimethylpyridazine-4-carboxylic acid (CID 82652492) is 3,5,6-trimethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3,5,6-trimethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3,5,6-trimethylpyridazine-4-carboxylic acid is Cc1nnc(C)c(C(=O)O)c1C.
What is the InChIKey of 3,5,6-trimethylpyridazine-4-carboxylic acid?
The InChIKey is TXYGUBFIKNGBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-4-5(2)9-10-6(3)7(4)8(11)12/h1-3H3,(H,11,12).
What are the key properties of 3,5,6-trimethylpyridazine-4-carboxylic acid?
3,5,6-trimethylpyridazine-4-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 82652492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).