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

C13H18N6OS — CID 126913401

IUPAC2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1nsc(N2CCN(CCn3ncccc3=O)CC2)n1
InChIInChI=1S/C13H18N6OS/c1-11-15-13(21-16-11)18-8-5-17(6-9-18)7-10-19-12(20)3-2-4-14-19/h2-4H,5-10H2,1H3
InChIKeyPTAOBCLCPSOXKT-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.23
Rot. Bonds4

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

2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126913401) has the molecular formula C13H18N6OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126913401
Molecular FormulaC13H18N6OS
Molecular Weight306.39 g/mol
Exact Mass306.13
IUPAC Name2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1nsc(N2CCN(CCn3ncccc3=O)CC2)n1
InChIInChI=1S/C13H18N6OS/c1-11-15-13(21-16-11)18-8-5-17(6-9-18)7-10-19-12(20)3-2-4-14-19/h2-4H,5-10H2,1H3
InChIKeyPTAOBCLCPSOXKT-UHFFFAOYSA-N
XLogP0.23
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.23
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-{[5-(Dimethylamino)-1,2,4-thiadiazol-3-yl]methyl}piperazin-1-yl)ethyl]-2,3-dihydropyridazin-3-one
CID 126913423
2-{2-[4-(3-Cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl}-2,3-dihydropyridazin-3-one
CID 126913486
2-{2-[4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl}-2,3-dihydropyridazin-3-one
CID 126913497
2-{2-[4-(3-Methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethyl}-2,3-dihydropyridazin-3-one
CID 126913500
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-{[1-(3-Methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126923208
2-[(1-{[5-(Dimethylamino)-1,2,4-thiadiazol-3-yl]methyl}pyrrolidin-2-yl)methyl]-2,3-dihydropyridazin-3-one
CID 126923231

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126913401) is 2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one is Cc1nsc(N2CCN(CCn3ncccc3=O)CC2)n1.
What is the InChIKey of 2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is PTAOBCLCPSOXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-11-15-13(21-16-11)18-8-5-17(6-9-18)7-10-19-12(20)3-2-4-14-19/h2-4H,5-10H2,1H3.
What are the key properties of 2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 306.39 g/mol, XLogP of 0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126913401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).