3-(tert-butylamino)-6-methoxypyridazine-4-carboxylic acid

C10H15N3O3 — CID 117102538

IUPAC3-(tert-butylamino)-6-methoxypyridazine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(NC(C)(C)C)nn1
InChIInChI=1S/C10H15N3O3/c1-10(2,3)11-8-6(9(14)15)5-7(16-4)12-13-8/h5H,1-4H3,(H,11,13)(H,14,15)
InChIKeyPMOMEMYXYYAJMI-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.39
Rot. Bonds3

About 3-(tert-butylamino)-6-methoxypyridazine-4-carboxylic acid

3-(tert-butylamino)-6-methoxypyridazine-4-carboxylic acid (PubChem CID 117102538) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(tert-butylamino)-6-methoxypyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(tert-butylamino)-6-methoxypyridazine-4-carboxylic acid
PubChem CID117102538
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-(tert-butylamino)-6-methoxypyridazine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(NC(C)(C)C)nn1
InChIInChI=1S/C10H15N3O3/c1-10(2,3)11-8-6(9(14)15)5-7(16-4)12-13-8/h5H,1-4H3,(H,11,13)(H,14,15)
InChIKeyPMOMEMYXYYAJMI-UHFFFAOYSA-N
XLogP1.39
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-6-methoxypyridazine-4-carboxylic acid?
The IUPAC name of 3-(tert-butylamino)-6-methoxypyridazine-4-carboxylic acid (CID 117102538) is 3-(tert-butylamino)-6-methoxypyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(tert-butylamino)-6-methoxypyridazine-4-carboxylic acid?
The canonical SMILES for 3-(tert-butylamino)-6-methoxypyridazine-4-carboxylic acid is COc1cc(C(=O)O)c(NC(C)(C)C)nn1.
What is the InChIKey of 3-(tert-butylamino)-6-methoxypyridazine-4-carboxylic acid?
The InChIKey is PMOMEMYXYYAJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(2,3)11-8-6(9(14)15)5-7(16-4)12-13-8/h5H,1-4H3,(H,11,13)(H,14,15).
What are the key properties of 3-(tert-butylamino)-6-methoxypyridazine-4-carboxylic acid?
3-(tert-butylamino)-6-methoxypyridazine-4-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-6-methoxypyridazine-4-carboxylic acid is sourced from PubChem (CID 117102538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).