2-benzylsulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]acetamide

C18H20N6OS — CID 119104882

IUPAC2-benzylsulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]acetamide
SMILESO=C(CSCc1ccccc1)NC1CCN(c2nccn3cnnc23)C1
InChIInChI=1S/C18H20N6OS/c25-16(12-26-11-14-4-2-1-3-5-14)21-15-6-8-23(10-15)17-18-22-20-13-24(18)9-7-19-17/h1-5,7,9,13,15H,6,8,10-12H2,(H,21,25)
InChIKeyGOYDSNRYIULDNQ-UHFFFAOYSA-N
MW368.47 g/mol
LogP1.75
Rot. Bonds6

About 2-benzylsulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]acetamide

2-benzylsulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]acetamide (PubChem CID 119104882) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]acetamide
PubChem CID119104882
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name2-benzylsulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]acetamide
SMILESO=C(CSCc1ccccc1)NC1CCN(c2nccn3cnnc23)C1
InChIInChI=1S/C18H20N6OS/c25-16(12-26-11-14-4-2-1-3-5-14)21-15-6-8-23(10-15)17-18-22-20-13-24(18)9-7-19-17/h1-5,7,9,13,15H,6,8,10-12H2,(H,21,25)
InChIKeyGOYDSNRYIULDNQ-UHFFFAOYSA-N
XLogP1.75
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-benzylsulfanyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide
CID 129357972
1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]imidazole-4-carboxamide
CID 75202556
1-methyl-3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-5-carboxamide
CID 119104878
3-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]benzamide
CID 121022052
1-buta-1,3-dien-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 123514712
2,4-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 119104884
7-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 119104873
N-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine
CID 171326342
8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 80673667
2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol
CID 154799004
2-[(3-methylphenyl)methylsulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705373
8-(4-chloro-3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 114682577

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]acetamide (CID 119104882) is 2-benzylsulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]acetamide is O=C(CSCc1ccccc1)NC1CCN(c2nccn3cnnc23)C1.
What is the InChIKey of 2-benzylsulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is GOYDSNRYIULDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c25-16(12-26-11-14-4-2-1-3-5-14)21-15-6-8-23(10-15)17-18-22-20-13-24(18)9-7-19-17/h1-5,7,9,13,15H,6,8,10-12H2,(H,21,25).
What are the key properties of 2-benzylsulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]acetamide?
2-benzylsulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 368.47 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 119104882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).