3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine

C19H24N4O3S — CID 122279744

IUPAC3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1
InChIInChI=1S/C19H24N4O3S/c1-2-26-16-5-7-17(8-6-16)27(24,25)23-13-11-22(12-14-23)19-10-9-18(20-21-19)15-3-4-15/h5-10,15H,2-4,11-14H2,1H3
InChIKeyQOWZNKCPITXLTI-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.26
Rot. Bonds6

About 3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine

3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine (PubChem CID 122279744) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
PubChem CID122279744
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1
InChIInChI=1S/C19H24N4O3S/c1-2-26-16-5-7-17(8-6-16)27(24,25)23-13-11-22(12-14-23)19-10-9-18(20-21-19)15-3-4-15/h5-10,15H,2-4,11-14H2,1H3
InChIKeyQOWZNKCPITXLTI-UHFFFAOYSA-N
XLogP2.26
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine
CID 122279803
3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060928
3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
CID 25283790
1-(4-ethoxyphenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine
CID 55377896
3-cyclopropyl-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122279758
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585227
3-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine
CID 122279749
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 108780892
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
4-chloro-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine
CID 31537662
1-[5-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 122279785

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine (CID 122279744) is 3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine is CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1.
What is the InChIKey of 3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is QOWZNKCPITXLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-2-26-16-5-7-17(8-6-16)27(24,25)23-13-11-22(12-14-23)19-10-9-18(20-21-19)15-3-4-15/h5-10,15H,2-4,11-14H2,1H3.
What are the key properties of 3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 388.49 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 122279744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).