4-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one

C16H18N6OS — CID 56918107

IUPAC4-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
SMILESCC(C)c1nnc2sc(C3CC(=O)N(Cc4ccncc4)C3)nn12
InChIInChI=1S/C16H18N6OS/c1-10(2)14-18-19-16-22(14)20-15(24-16)12-7-13(23)21(9-12)8-11-3-5-17-6-4-11/h3-6,10,12H,7-9H2,1-2H3
InChIKeyMXZQOFPQOSKLLG-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.22
Rot. Bonds4

About 4-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one

4-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one (PubChem CID 56918107) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 4-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
PubChem CID56918107
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name4-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
SMILESCC(C)c1nnc2sc(C3CC(=O)N(Cc4ccncc4)C3)nn12
InChIInChI=1S/C16H18N6OS/c1-10(2)14-18-19-16-22(14)20-15(24-16)12-7-13(23)21(9-12)8-11-3-5-17-6-4-11/h3-6,10,12H,7-9H2,1-2H3
InChIKeyMXZQOFPQOSKLLG-UHFFFAOYSA-N
XLogP2.22
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-propan-2-yl-6-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 56869222
4-(3,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 153309025
N-(3-acetamidophenyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 113184138
4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 74233567
N-(5-methoxy-1,3-benzothiazol-2-yl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 46969453
4-[(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)methyl]pyridine
CID 63385375
N-(2-butyl-5-methylpyrazol-3-yl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 134698678
(3R)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 51590916
(4R)-1-benzyl-4-(furan-2-yl)pyrrolidin-2-one
CID 102377410
(3R)-5-oxo-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 686357
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4785258
5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 72854717

Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one (CID 56918107) is 4-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one is CC(C)c1nnc2sc(C3CC(=O)N(Cc4ccncc4)C3)nn12.
What is the InChIKey of 4-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one?
The InChIKey is MXZQOFPQOSKLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-10(2)14-18-19-16-22(14)20-15(24-16)12-7-13(23)21(9-12)8-11-3-5-17-6-4-11/h3-6,10,12H,7-9H2,1-2H3.
What are the key properties of 4-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one?
4-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one has a molecular weight of 342.43 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 56918107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).