3-(2-methylimidazol-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine

C21H26N6O2S — CID 90539692

IUPAC3-(2-methylimidazol-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(-n4ccnc4C)nn3)CC2)cc1C
InChIInChI=1S/C21H26N6O2S/c1-15-13-17(3)19(14-16(15)2)30(28,29)26-11-9-25(10-12-26)20-5-6-21(24-23-20)27-8-7-22-18(27)4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyOHYMGKAMBIGZPB-UHFFFAOYSA-N
MW426.55 g/mol
LogP2.41
Rot. Bonds4

About 3-(2-methylimidazol-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine

3-(2-methylimidazol-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine (PubChem CID 90539692) has the molecular formula C21H26N6O2S and a molecular weight of 426.55 g/mol. Its IUPAC name is 3-(2-methylimidazol-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(2-methylimidazol-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
PubChem CID90539692
Molecular FormulaC21H26N6O2S
Molecular Weight426.55 g/mol
Exact Mass426.18
IUPAC Name3-(2-methylimidazol-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(-n4ccnc4C)nn3)CC2)cc1C
InChIInChI=1S/C21H26N6O2S/c1-15-13-17(3)19(14-16(15)2)30(28,29)26-11-9-25(10-12-26)20-5-6-21(24-23-20)27-8-7-22-18(27)4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyOHYMGKAMBIGZPB-UHFFFAOYSA-N
XLogP2.41
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazol-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-(2-methylimidazol-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine (CID 90539692) is 3-(2-methylimidazol-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-(2-methylimidazol-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-(2-methylimidazol-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine is Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(-n4ccnc4C)nn3)CC2)cc1C.
What is the InChIKey of 3-(2-methylimidazol-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is OHYMGKAMBIGZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2S/c1-15-13-17(3)19(14-16(15)2)30(28,29)26-11-9-25(10-12-26)20-5-6-21(24-23-20)27-8-7-22-18(27)4/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of 3-(2-methylimidazol-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine?
3-(2-methylimidazol-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 426.55 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazol-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 90539692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).