6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylic acid

C10H14N4O3 — CID 117100432

IUPAC6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(N2CCNCC2)nn1
InChIInChI=1S/C10H14N4O3/c1-17-8-6-7(10(15)16)9(13-12-8)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3,(H,15,16)
InChIKeyGEHQRTDBQCDJHW-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.41
Rot. Bonds3

About 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylic acid

6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylic acid (PubChem CID 117100432) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylic acid
PubChem CID117100432
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(N2CCNCC2)nn1
InChIInChI=1S/C10H14N4O3/c1-17-8-6-7(10(15)16)9(13-12-8)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3,(H,15,16)
InChIKeyGEHQRTDBQCDJHW-UHFFFAOYSA-N
XLogP-0.41
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylic acid?
The IUPAC name of 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylic acid (CID 117100432) is 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylic acid.
What is the SMILES notation for 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylic acid?
The canonical SMILES for 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylic acid is COc1cc(C(=O)O)c(N2CCNCC2)nn1.
What is the InChIKey of 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylic acid?
The InChIKey is GEHQRTDBQCDJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-17-8-6-7(10(15)16)9(13-12-8)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3,(H,15,16).
What are the key properties of 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylic acid?
6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylic acid is sourced from PubChem (CID 117100432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).