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

C17H21N5OS — CID 154575357

IUPAC3-cyclopropyl-5-[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole
SMILESc1cc(C2CC2)nnc1OCC1CCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C17H21N5OS/c1-2-12(1)14-5-6-15(20-19-14)23-10-11-7-8-22(9-11)17-18-16(21-24-17)13-3-4-13/h5-6,11-13H,1-4,7-10H2
InChIKeyKWPLCLLJOFJPQG-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.99
Rot. Bonds6

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

3-cyclopropyl-5-[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole (PubChem CID 154575357) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 3-cyclopropyl-5-[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole
PubChem CID154575357
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name3-cyclopropyl-5-[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole
SMILESc1cc(C2CC2)nnc1OCC1CCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C17H21N5OS/c1-2-12(1)14-5-6-15(20-19-14)23-10-11-7-8-22(9-11)17-18-16(21-24-17)13-3-4-13/h5-6,11-13H,1-4,7-10H2
InChIKeyKWPLCLLJOFJPQG-UHFFFAOYSA-N
XLogP2.99
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.99
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-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole (CID 154575357) is 3-cyclopropyl-5-[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole is c1cc(C2CC2)nnc1OCC1CCN(c2nc(C3CC3)ns2)C1.
What is the InChIKey of 3-cyclopropyl-5-[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is KWPLCLLJOFJPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-2-12(1)14-5-6-15(20-19-14)23-10-11-7-8-22(9-11)17-18-16(21-24-17)13-3-4-13/h5-6,11-13H,1-4,7-10H2.
What are the key properties of 3-cyclopropyl-5-[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 343.46 g/mol, XLogP of 2.99, 6 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-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 154575357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).