ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate

C13H18N4O3 — CID 110705248

IUPACethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(C)nn2)CC1
InChIInChI=1S/C13H18N4O3/c1-3-20-13(19)17-8-6-16(7-9-17)12(18)11-5-4-10(2)14-15-11/h4-5H,3,6-9H2,1-2H3
InChIKeyGXSBFRGTZSFGCC-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.70
Rot. Bonds2

About ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate

ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate (PubChem CID 110705248) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate
PubChem CID110705248
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Nameethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(C)nn2)CC1
InChIInChI=1S/C13H18N4O3/c1-3-20-13(19)17-8-6-16(7-9-17)12(18)11-5-4-10(2)14-15-11/h4-5H,3,6-9H2,1-2H3
InChIKeyGXSBFRGTZSFGCC-UHFFFAOYSA-N
XLogP0.70
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[6-(azepane-1-carbonyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109123810
ethyl 4-[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109116660
4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde
CID 110705200
ethyl 4-[6-[butyl(methyl)amino]pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123862
ethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123868
ethyl 4-[6-(2-fluoroanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123887
ethyl 4-[6-(azepane-1-carbonyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109098906
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone
CID 110705277
ethyl 4-[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123908
ethyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate
CID 103874999
ethyl 4-(6-oxo-1H-pyridazine-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808932

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate (CID 110705248) is ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(C)nn2)CC1.
What is the InChIKey of ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate?
The InChIKey is GXSBFRGTZSFGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-3-20-13(19)17-8-6-16(7-9-17)12(18)11-5-4-10(2)14-15-11/h4-5H,3,6-9H2,1-2H3.
What are the key properties of ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate?
ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 110705248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).