ethyl 4-[6-[butyl(methyl)amino]pyridazine-3-carbonyl]piperazine-1-carboxylate

C17H27N5O3 — CID 109123862

IUPACethyl 4-[6-[butyl(methyl)amino]pyridazine-3-carbonyl]piperazine-1-carboxylate
SMILESCCCCN(C)c1ccc(C(=O)N2CCN(C(=O)OCC)CC2)nn1
InChIInChI=1S/C17H27N5O3/c1-4-6-9-20(3)15-8-7-14(18-19-15)16(23)21-10-12-22(13-11-21)17(24)25-5-2/h7-8H,4-6,9-13H2,1-3H3
InChIKeyMOFJMURCRNONKU-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.63
Rot. Bonds6

About ethyl 4-[6-[butyl(methyl)amino]pyridazine-3-carbonyl]piperazine-1-carboxylate

ethyl 4-[6-[butyl(methyl)amino]pyridazine-3-carbonyl]piperazine-1-carboxylate (PubChem CID 109123862) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is ethyl 4-[6-[butyl(methyl)amino]pyridazine-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-[butyl(methyl)amino]pyridazine-3-carbonyl]piperazine-1-carboxylate
PubChem CID109123862
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Nameethyl 4-[6-[butyl(methyl)amino]pyridazine-3-carbonyl]piperazine-1-carboxylate
SMILESCCCCN(C)c1ccc(C(=O)N2CCN(C(=O)OCC)CC2)nn1
InChIInChI=1S/C17H27N5O3/c1-4-6-9-20(3)15-8-7-14(18-19-15)16(23)21-10-12-22(13-11-21)17(24)25-5-2/h7-8H,4-6,9-13H2,1-3H3
InChIKeyMOFJMURCRNONKU-UHFFFAOYSA-N
XLogP1.63
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[2-[butyl(methyl)amino]pyridine-4-carbonyl]piperazine-1-carboxylate
CID 109174252
ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate
CID 110705248
ethyl 4-[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123908
ethyl 4-[6-(azepane-1-carbonyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109123810
ethyl 4-[6-(dipropylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109352855
ethyl 4-[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109116660
ethyl 4-[butyl(methyl)carbamoyl]piperazine-1-carboxylate
CID 108989937
4-[6-(dipropylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116981
1-[4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 112853886
ethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123868
ethyl 4-[5-[butyl(methyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109106675
6-[butyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109125594

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-[butyl(methyl)amino]pyridazine-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-[butyl(methyl)amino]pyridazine-3-carbonyl]piperazine-1-carboxylate (CID 109123862) is ethyl 4-[6-[butyl(methyl)amino]pyridazine-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-[butyl(methyl)amino]pyridazine-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-[butyl(methyl)amino]pyridazine-3-carbonyl]piperazine-1-carboxylate is CCCCN(C)c1ccc(C(=O)N2CCN(C(=O)OCC)CC2)nn1.
What is the InChIKey of ethyl 4-[6-[butyl(methyl)amino]pyridazine-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is MOFJMURCRNONKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-4-6-9-20(3)15-8-7-14(18-19-15)16(23)21-10-12-22(13-11-21)17(24)25-5-2/h7-8H,4-6,9-13H2,1-3H3.
What are the key properties of ethyl 4-[6-[butyl(methyl)amino]pyridazine-3-carbonyl]piperazine-1-carboxylate?
ethyl 4-[6-[butyl(methyl)amino]pyridazine-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 349.44 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-[butyl(methyl)amino]pyridazine-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109123862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).