2-benzyl-6-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one

C20H22N6OS — CID 163350619

IUPAC2-benzyl-6-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one
SMILESO=c1ccc(N2CCN(c3nc(C4CC4)ns3)CC2)nn1Cc1ccccc1
InChIInChI=1S/C20H22N6OS/c27-18-9-8-17(22-26(18)14-15-4-2-1-3-5-15)24-10-12-25(13-11-24)20-21-19(23-28-20)16-6-7-16/h1-5,8-9,16H,6-7,10-14H2
InChIKeyILWGKPMCZJJTDM-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.35
Rot. Bonds5

About 2-benzyl-6-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one

2-benzyl-6-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one (PubChem CID 163350619) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-benzyl-6-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one
PubChem CID163350619
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC Name2-benzyl-6-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one
SMILESO=c1ccc(N2CCN(c3nc(C4CC4)ns3)CC2)nn1Cc1ccccc1
InChIInChI=1S/C20H22N6OS/c27-18-9-8-17(22-26(18)14-15-4-2-1-3-5-15)24-10-12-25(13-11-24)20-21-19(23-28-20)16-6-7-16/h1-5,8-9,16H,6-7,10-14H2
InChIKeyILWGKPMCZJJTDM-UHFFFAOYSA-N
XLogP2.35
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-benzyl-6-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one (CID 163350619) is 2-benzyl-6-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-benzyl-6-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one is O=c1ccc(N2CCN(c3nc(C4CC4)ns3)CC2)nn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-6-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is ILWGKPMCZJJTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6OS/c27-18-9-8-17(22-26(18)14-15-4-2-1-3-5-15)24-10-12-25(13-11-24)20-21-19(23-28-20)16-6-7-16/h1-5,8-9,16H,6-7,10-14H2.
What are the key properties of 2-benzyl-6-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one?
2-benzyl-6-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 394.50 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 163350619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).