methyl 6-piperazin-1-ylpyridazine-3-carboxylate;dihydrochloride

C10H16Cl2N4O2 — CID 71756889

IUPACmethyl 6-piperazin-1-ylpyridazine-3-carboxylate;dihydrochloride
SMILESCOC(=O)c1ccc(N2CCNCC2)nn1.Cl.Cl
InChIInChI=1S/C10H14N4O2.2ClH/c1-16-10(15)8-2-3-9(13-12-8)14-6-4-11-5-7-14;;/h2-3,11H,4-7H2,1H3;2*1H
InChIKeyDOJPXMYMIBYVOB-UHFFFAOYSA-N
MW295.17 g/mol
LogP0.52
Rot. Bonds2

About methyl 6-piperazin-1-ylpyridazine-3-carboxylate;dihydrochloride

methyl 6-piperazin-1-ylpyridazine-3-carboxylate;dihydrochloride (PubChem CID 71756889) has the molecular formula C10H16Cl2N4O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is methyl 6-piperazin-1-ylpyridazine-3-carboxylate;dihydrochloride.

Molecular Properties

Compound Namemethyl 6-piperazin-1-ylpyridazine-3-carboxylate;dihydrochloride
PubChem CID71756889
Molecular FormulaC10H16Cl2N4O2
Molecular Weight295.17 g/mol
Exact Mass294.07
IUPAC Namemethyl 6-piperazin-1-ylpyridazine-3-carboxylate;dihydrochloride
SMILESCOC(=O)c1ccc(N2CCNCC2)nn1.Cl.Cl
InChIInChI=1S/C10H14N4O2.2ClH/c1-16-10(15)8-2-3-9(13-12-8)14-6-4-11-5-7-14;;/h2-3,11H,4-7H2,1H3;2*1H
InChIKeyDOJPXMYMIBYVOB-UHFFFAOYSA-N
XLogP0.52
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-piperazin-1-ylpyridazine-3-carboxylate;dihydrochloride?
The IUPAC name of methyl 6-piperazin-1-ylpyridazine-3-carboxylate;dihydrochloride (CID 71756889) is methyl 6-piperazin-1-ylpyridazine-3-carboxylate;dihydrochloride.
What is the SMILES notation for methyl 6-piperazin-1-ylpyridazine-3-carboxylate;dihydrochloride?
The canonical SMILES for methyl 6-piperazin-1-ylpyridazine-3-carboxylate;dihydrochloride is COC(=O)c1ccc(N2CCNCC2)nn1.Cl.Cl.
What is the InChIKey of methyl 6-piperazin-1-ylpyridazine-3-carboxylate;dihydrochloride?
The InChIKey is DOJPXMYMIBYVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2.2ClH/c1-16-10(15)8-2-3-9(13-12-8)14-6-4-11-5-7-14;;/h2-3,11H,4-7H2,1H3;2*1H.
What are the key properties of methyl 6-piperazin-1-ylpyridazine-3-carboxylate;dihydrochloride?
methyl 6-piperazin-1-ylpyridazine-3-carboxylate;dihydrochloride has a molecular weight of 295.17 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-piperazin-1-ylpyridazine-3-carboxylate;dihydrochloride is sourced from PubChem (CID 71756889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).