6-methoxy-3-(propan-2-ylamino)pyridazine-4-carboxylic acid

C9H13N3O3 — CID 117102536

IUPAC6-methoxy-3-(propan-2-ylamino)pyridazine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(NC(C)C)nn1
InChIInChI=1S/C9H13N3O3/c1-5(2)10-8-6(9(13)14)4-7(15-3)11-12-8/h4-5H,1-3H3,(H,10,12)(H,13,14)
InChIKeyGKKUOCYKZBBFMX-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.00
Rot. Bonds4

About 6-methoxy-3-(propan-2-ylamino)pyridazine-4-carboxylic acid

6-methoxy-3-(propan-2-ylamino)pyridazine-4-carboxylic acid (PubChem CID 117102536) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-methoxy-3-(propan-2-ylamino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-3-(propan-2-ylamino)pyridazine-4-carboxylic acid
PubChem CID117102536
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name6-methoxy-3-(propan-2-ylamino)pyridazine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(NC(C)C)nn1
InChIInChI=1S/C9H13N3O3/c1-5(2)10-8-6(9(13)14)4-7(15-3)11-12-8/h4-5H,1-3H3,(H,10,12)(H,13,14)
InChIKeyGKKUOCYKZBBFMX-UHFFFAOYSA-N
XLogP1.00
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(propan-2-ylamino)pyridazine-4-carboxylic acid?
The IUPAC name of 6-methoxy-3-(propan-2-ylamino)pyridazine-4-carboxylic acid (CID 117102536) is 6-methoxy-3-(propan-2-ylamino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 6-methoxy-3-(propan-2-ylamino)pyridazine-4-carboxylic acid?
The canonical SMILES for 6-methoxy-3-(propan-2-ylamino)pyridazine-4-carboxylic acid is COc1cc(C(=O)O)c(NC(C)C)nn1.
What is the InChIKey of 6-methoxy-3-(propan-2-ylamino)pyridazine-4-carboxylic acid?
The InChIKey is GKKUOCYKZBBFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5(2)10-8-6(9(13)14)4-7(15-3)11-12-8/h4-5H,1-3H3,(H,10,12)(H,13,14).
What are the key properties of 6-methoxy-3-(propan-2-ylamino)pyridazine-4-carboxylic acid?
6-methoxy-3-(propan-2-ylamino)pyridazine-4-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(propan-2-ylamino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 117102536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).