3-cyclopropyl-5-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole

C15H19N5OS — CID 154575304

IUPAC3-cyclopropyl-5-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole
SMILESCc1ccc(OCC2CCN(c3nc(C4CC4)ns3)C2)nn1
InChIInChI=1S/C15H19N5OS/c1-10-2-5-13(18-17-10)21-9-11-6-7-20(8-11)15-16-14(19-22-15)12-3-4-12/h2,5,11-12H,3-4,6-9H2,1H3
InChIKeyCDAIMAZQCSZYGK-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.42
Rot. Bonds5

About 3-cyclopropyl-5-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole

3-cyclopropyl-5-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole (PubChem CID 154575304) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 3-cyclopropyl-5-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole
PubChem CID154575304
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name3-cyclopropyl-5-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole
SMILESCc1ccc(OCC2CCN(c3nc(C4CC4)ns3)C2)nn1
InChIInChI=1S/C15H19N5OS/c1-10-2-5-13(18-17-10)21-9-11-6-7-20(8-11)15-16-14(19-22-15)12-3-4-12/h2,5,11-12H,3-4,6-9H2,1H3
InChIKeyCDAIMAZQCSZYGK-UHFFFAOYSA-N
XLogP2.42
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole (CID 154575304) is 3-cyclopropyl-5-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole is Cc1ccc(OCC2CCN(c3nc(C4CC4)ns3)C2)nn1.
What is the InChIKey of 3-cyclopropyl-5-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is CDAIMAZQCSZYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-10-2-5-13(18-17-10)21-9-11-6-7-20(8-11)15-16-14(19-22-15)12-3-4-12/h2,5,11-12H,3-4,6-9H2,1H3.
What are the key properties of 3-cyclopropyl-5-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 317.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 154575304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).