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

C10H14N4O2 — CID 117100426

IUPACmethyl 3-piperazin-1-ylpyridazine-4-carboxylate
SMILESCOC(=O)c1ccnnc1N1CCNCC1
InChIInChI=1S/C10H14N4O2/c1-16-10(15)8-2-3-12-13-9(8)14-6-4-11-5-7-14/h2-3,11H,4-7H2,1H3
InChIKeyNHVGYCPJJNMKOU-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.33
Rot. Bonds2

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

methyl 3-piperazin-1-ylpyridazine-4-carboxylate (PubChem CID 117100426) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is methyl 3-piperazin-1-ylpyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-piperazin-1-ylpyridazine-4-carboxylate
PubChem CID117100426
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Namemethyl 3-piperazin-1-ylpyridazine-4-carboxylate
SMILESCOC(=O)c1ccnnc1N1CCNCC1
InChIInChI=1S/C10H14N4O2/c1-16-10(15)8-2-3-12-13-9(8)14-6-4-11-5-7-14/h2-3,11H,4-7H2,1H3
InChIKeyNHVGYCPJJNMKOU-UHFFFAOYSA-N
XLogP-0.33
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-piperazin-1-ylpyridazine-4-carboxylate?
The IUPAC name of methyl 3-piperazin-1-ylpyridazine-4-carboxylate (CID 117100426) is methyl 3-piperazin-1-ylpyridazine-4-carboxylate.
What is the SMILES notation for methyl 3-piperazin-1-ylpyridazine-4-carboxylate?
The canonical SMILES for methyl 3-piperazin-1-ylpyridazine-4-carboxylate is COC(=O)c1ccnnc1N1CCNCC1.
What is the InChIKey of methyl 3-piperazin-1-ylpyridazine-4-carboxylate?
The InChIKey is NHVGYCPJJNMKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-16-10(15)8-2-3-12-13-9(8)14-6-4-11-5-7-14/h2-3,11H,4-7H2,1H3.
What are the key properties of methyl 3-piperazin-1-ylpyridazine-4-carboxylate?
methyl 3-piperazin-1-ylpyridazine-4-carboxylate has a molecular weight of 222.25 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-piperazin-1-ylpyridazine-4-carboxylate is sourced from PubChem (CID 117100426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).