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

C12H16N6OS — CID 163347818

IUPAC2-methyl-6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one
SMILESCc1nsc(N2CCN(c3ccc(=O)n(C)n3)CC2)n1
InChIInChI=1S/C12H16N6OS/c1-9-13-12(20-15-9)18-7-5-17(6-8-18)10-3-4-11(19)16(2)14-10/h3-4H,5-8H2,1-2H3
InChIKeyWWZHPRRFPHVGIG-UHFFFAOYSA-N
MW292.37 g/mol
LogP0.27
Rot. Bonds2

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

2-methyl-6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one (PubChem CID 163347818) has the molecular formula C12H16N6OS and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-methyl-6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one
PubChem CID163347818
Molecular FormulaC12H16N6OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC Name2-methyl-6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one
SMILESCc1nsc(N2CCN(c3ccc(=O)n(C)n3)CC2)n1
InChIInChI=1S/C12H16N6OS/c1-9-13-12(20-15-9)18-7-5-17(6-8-18)10-3-4-11(19)16(2)14-10/h3-4H,5-8H2,1-2H3
InChIKeyWWZHPRRFPHVGIG-UHFFFAOYSA-N
XLogP0.27
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[5-(Dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-6-methylpyridazin-3-one
CID 132302503
2-(2,2-Difluoroethyl)-5-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2,3-dihydropyridazin-3-one
CID 171994975
(2E,4E)-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]hexa-2,4-dien-1-one
CID 75408166
1-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]hexa-2,4-dien-1-one
CID 102602992
2-{2-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl}-2,3-dihydropyridazin-3-one
CID 126913401
2-[2-(4-{[5-(Dimethylamino)-1,2,4-thiadiazol-3-yl]methyl}piperazin-1-yl)ethyl]-2,3-dihydropyridazin-3-one
CID 126913423
2-{2-[4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl}-2,3-dihydropyridazin-3-one
CID 126913497
6-Methyl-2-{2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl}-2,3-dihydropyridazin-3-one
CID 126913684
2-[2-(4-{[5-(Dimethylamino)-1,2,4-thiadiazol-3-yl]methyl}piperazin-1-yl)ethyl]-6-methyl-2,3-dihydropyridazin-3-one
CID 126913712
2-(2-{4-[3-(Methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl}ethyl)-6-methyl-2,3-dihydropyridazin-3-one
CID 126913812
2-{2-[4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl}-6-methyl-2,3-dihydropyridazin-3-one
CID 126913816
6-Tert-butyl-2-{2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl}-2,3-dihydropyridazin-3-one
CID 126914063

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one (CID 163347818) is 2-methyl-6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one is Cc1nsc(N2CCN(c3ccc(=O)n(C)n3)CC2)n1.
What is the InChIKey of 2-methyl-6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is WWZHPRRFPHVGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS/c1-9-13-12(20-15-9)18-7-5-17(6-8-18)10-3-4-11(19)16(2)14-10/h3-4H,5-8H2,1-2H3.
What are the key properties of 2-methyl-6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one?
2-methyl-6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 292.37 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 163347818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).