methyl 6-(2,5-diethylpiperazin-1-yl)pyridazine-3-carboxylate

C14H22N4O2 — CID 64979051

IUPACmethyl 6-(2,5-diethylpiperazin-1-yl)pyridazine-3-carboxylate
SMILESCCC1CN(c2ccc(C(=O)OC)nn2)C(CC)CN1
InChIInChI=1S/C14H22N4O2/c1-4-10-9-18(11(5-2)8-15-10)13-7-6-12(16-17-13)14(19)20-3/h6-7,10-11,15H,4-5,8-9H2,1-3H3
InChIKeyGCRBSPOACHLBOP-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.23
Rot. Bonds4

About methyl 6-(2,5-diethylpiperazin-1-yl)pyridazine-3-carboxylate

methyl 6-(2,5-diethylpiperazin-1-yl)pyridazine-3-carboxylate (PubChem CID 64979051) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is methyl 6-(2,5-diethylpiperazin-1-yl)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,5-diethylpiperazin-1-yl)pyridazine-3-carboxylate
PubChem CID64979051
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Namemethyl 6-(2,5-diethylpiperazin-1-yl)pyridazine-3-carboxylate
SMILESCCC1CN(c2ccc(C(=O)OC)nn2)C(CC)CN1
InChIInChI=1S/C14H22N4O2/c1-4-10-9-18(11(5-2)8-15-10)13-7-6-12(16-17-13)14(19)20-3/h6-7,10-11,15H,4-5,8-9H2,1-3H3
InChIKeyGCRBSPOACHLBOP-UHFFFAOYSA-N
XLogP1.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-diethyl-1-(5-methyl-2-pyridinyl)piperazine
CID 64979037
methyl 6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxylate
CID 133269783
2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid
CID 61371685
4-(2,5-diethylpiperazin-1-yl)-N-ethylpyridine-2-carboxamide
CID 64979161
(2,5-diethylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 64978517
methyl 6-[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazine-3-carboxylate
CID 129497824
methyl 6-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]pyridazine-3-carboxylate
CID 100899631
6-(2,5-diethylpiperazin-1-yl)pyridine-2-carbonitrile
CID 64978952
ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate
CID 121206169
tert-butyl (2S,5R)-2-ethyl-5-methylpiperazine-1-carboxylate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[(2R,5S)-5-ethyl-2-methylpiperazin-1-yl]pyrazine-2-carboxylate
CID 159208375
methyl 3-(2,5-diethylpiperazin-1-yl)-2-methylpropanoate
CID 64978568
1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 63031839

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,5-diethylpiperazin-1-yl)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(2,5-diethylpiperazin-1-yl)pyridazine-3-carboxylate (CID 64979051) is methyl 6-(2,5-diethylpiperazin-1-yl)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,5-diethylpiperazin-1-yl)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(2,5-diethylpiperazin-1-yl)pyridazine-3-carboxylate is CCC1CN(c2ccc(C(=O)OC)nn2)C(CC)CN1.
What is the InChIKey of methyl 6-(2,5-diethylpiperazin-1-yl)pyridazine-3-carboxylate?
The InChIKey is GCRBSPOACHLBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-10-9-18(11(5-2)8-15-10)13-7-6-12(16-17-13)14(19)20-3/h6-7,10-11,15H,4-5,8-9H2,1-3H3.
What are the key properties of methyl 6-(2,5-diethylpiperazin-1-yl)pyridazine-3-carboxylate?
methyl 6-(2,5-diethylpiperazin-1-yl)pyridazine-3-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,5-diethylpiperazin-1-yl)pyridazine-3-carboxylate is sourced from PubChem (CID 64979051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).