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

C12H15N5OS — CID 126923208

IUPAC2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCc1nsc(N2CCCC2Cn2ncccc2=O)n1
InChIInChI=1S/C12H15N5OS/c1-9-14-12(19-15-9)16-7-3-4-10(16)8-17-11(18)5-2-6-13-17/h2,5-6,10H,3-4,7-8H2,1H3
InChIKeyZUYRPSWUHFMILP-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.07
Rot. Bonds3

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

2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923208) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923208
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCc1nsc(N2CCCC2Cn2ncccc2=O)n1
InChIInChI=1S/C12H15N5OS/c1-9-14-12(19-15-9)16-7-3-4-10(16)8-17-11(18)5-2-6-13-17/h2,5-6,10H,3-4,7-8H2,1H3
InChIKeyZUYRPSWUHFMILP-UHFFFAOYSA-N
XLogP1.07
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923208) is 2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one is Cc1nsc(N2CCCC2Cn2ncccc2=O)n1.
What is the InChIKey of 2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is ZUYRPSWUHFMILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-9-14-12(19-15-9)16-7-3-4-10(16)8-17-11(18)5-2-6-13-17/h2,5-6,10H,3-4,7-8H2,1H3.
What are the key properties of 2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 277.35 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).