methyl 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylate

C11H16N4O3 — CID 117100433

IUPACmethyl 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylate
SMILESCOC(=O)c1cc(OC)nnc1N1CCNCC1
InChIInChI=1S/C11H16N4O3/c1-17-9-7-8(11(16)18-2)10(14-13-9)15-5-3-12-4-6-15/h7,12H,3-6H2,1-2H3
InChIKeyXVHNDEPGPVLVOG-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.32
Rot. Bonds3

About methyl 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylate

methyl 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylate (PubChem CID 117100433) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylate
PubChem CID117100433
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Namemethyl 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylate
SMILESCOC(=O)c1cc(OC)nnc1N1CCNCC1
InChIInChI=1S/C11H16N4O3/c1-17-9-7-8(11(16)18-2)10(14-13-9)15-5-3-12-4-6-15/h7,12H,3-6H2,1-2H3
InChIKeyXVHNDEPGPVLVOG-UHFFFAOYSA-N
XLogP-0.32
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylate?
The IUPAC name of methyl 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylate (CID 117100433) is methyl 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylate.
What is the SMILES notation for methyl 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylate?
The canonical SMILES for methyl 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylate is COC(=O)c1cc(OC)nnc1N1CCNCC1.
What is the InChIKey of methyl 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylate?
The InChIKey is XVHNDEPGPVLVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-17-9-7-8(11(16)18-2)10(14-13-9)15-5-3-12-4-6-15/h7,12H,3-6H2,1-2H3.
What are the key properties of methyl 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylate?
methyl 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylate has a molecular weight of 252.27 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylate is sourced from PubChem (CID 117100433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).