3-(dimethylamino)-6-methoxypyridazine-4-carboxylic acid

C8H11N3O3 — CID 117102553

IUPAC3-(dimethylamino)-6-methoxypyridazine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(N(C)C)nn1
InChIInChI=1S/C8H11N3O3/c1-11(2)7-5(8(12)13)4-6(14-3)9-10-7/h4H,1-3H3,(H,12,13)
InChIKeyJQFSPPRJPXFVJX-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.25
Rot. Bonds3

About 3-(dimethylamino)-6-methoxypyridazine-4-carboxylic acid

3-(dimethylamino)-6-methoxypyridazine-4-carboxylic acid (PubChem CID 117102553) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-(dimethylamino)-6-methoxypyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylamino)-6-methoxypyridazine-4-carboxylic acid
PubChem CID117102553
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name3-(dimethylamino)-6-methoxypyridazine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(N(C)C)nn1
InChIInChI=1S/C8H11N3O3/c1-11(2)7-5(8(12)13)4-6(14-3)9-10-7/h4H,1-3H3,(H,12,13)
InChIKeyJQFSPPRJPXFVJX-UHFFFAOYSA-N
XLogP0.25
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-6-methoxypyridazine-4-carboxylic acid?
The IUPAC name of 3-(dimethylamino)-6-methoxypyridazine-4-carboxylic acid (CID 117102553) is 3-(dimethylamino)-6-methoxypyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(dimethylamino)-6-methoxypyridazine-4-carboxylic acid?
The canonical SMILES for 3-(dimethylamino)-6-methoxypyridazine-4-carboxylic acid is COc1cc(C(=O)O)c(N(C)C)nn1.
What is the InChIKey of 3-(dimethylamino)-6-methoxypyridazine-4-carboxylic acid?
The InChIKey is JQFSPPRJPXFVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-11(2)7-5(8(12)13)4-6(14-3)9-10-7/h4H,1-3H3,(H,12,13).
What are the key properties of 3-(dimethylamino)-6-methoxypyridazine-4-carboxylic acid?
3-(dimethylamino)-6-methoxypyridazine-4-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-6-methoxypyridazine-4-carboxylic acid is sourced from PubChem (CID 117102553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).