ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate

C12H18N4O3 — CID 16883423

IUPACethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(OC)nn2)CC1
InChIInChI=1S/C12H18N4O3/c1-3-19-12(17)16-8-6-15(7-9-16)10-4-5-11(18-2)14-13-10/h4-5H,3,6-9H2,1-2H3
InChIKeyLPZSWQDZJXVAML-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.76
Rot. Bonds3

About ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate

ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate (PubChem CID 16883423) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate
PubChem CID16883423
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Nameethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(OC)nn2)CC1
InChIInChI=1S/C12H18N4O3/c1-3-19-12(17)16-8-6-15(7-9-16)10-4-5-11(18-2)14-13-10/h4-5H,3,6-9H2,1-2H3
InChIKeyLPZSWQDZJXVAML-UHFFFAOYSA-N
XLogP0.76
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 16883280
ethyl 4-[6-(azepane-1-carbonyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109123810
cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883287
ethyl 4-[6-(2,2-dimethylpropanoylamino)pyridazin-3-yl]piperazine-1-carboxylate
CID 113043573
ethyl 4-[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109116660
(2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883306
ethyl 4-[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043584
ethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043606
ethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 121118763
ethyl 4-[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109111593
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 16883364
ethyl 4-[6-[(2-methylbenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043578

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate (CID 16883423) is ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccc(OC)nn2)CC1.
What is the InChIKey of ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate?
The InChIKey is LPZSWQDZJXVAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-19-12(17)16-8-6-15(7-9-16)10-4-5-11(18-2)14-13-10/h4-5H,3,6-9H2,1-2H3.
What are the key properties of ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate?
ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 16883423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).