1-thiophen-2-yl-2-[(2S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanone

C15H15N5OS — CID 124885634

IUPAC1-thiophen-2-yl-2-[(2S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanone
SMILESO=C(C[C@@H]1CCCN1c1nccn2cnnc12)c1cccs1
InChIInChI=1S/C15H15N5OS/c21-12(13-4-2-8-22-13)9-11-3-1-6-20(11)14-15-18-17-10-19(15)7-5-16-14/h2,4-5,7-8,10-11H,1,3,6,9H2/t11-/m0/s1
InChIKeyXTEZLWQTECWPPU-NSHDSACASA-N
MW313.39 g/mol
LogP2.43
Rot. Bonds4

About 1-thiophen-2-yl-2-[(2S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanone

1-thiophen-2-yl-2-[(2S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanone (PubChem CID 124885634) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 1-thiophen-2-yl-2-[(2S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-thiophen-2-yl-2-[(2S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanone
PubChem CID124885634
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name1-thiophen-2-yl-2-[(2S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanone
SMILESO=C(C[C@@H]1CCCN1c1nccn2cnnc12)c1cccs1
InChIInChI=1S/C15H15N5OS/c21-12(13-4-2-8-22-13)9-11-3-1-6-20(11)14-15-18-17-10-19(15)7-5-16-14/h2,4-5,7-8,10-11H,1,3,6,9H2/t11-/m0/s1
InChIKeyXTEZLWQTECWPPU-NSHDSACASA-N
XLogP2.43
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-thiophen-2-yl-2-[(2S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanamine
CID 138009063
N-methyl-1-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]methanesulfonamide
CID 146128604
2-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1-thiophen-2-ylethanone
CID 75517761
cis-(1R,2S)-2-[(2R)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 129480645
2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanone
CID 167946409
8-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 124730441
[4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-2-yl]methanamine
CID 80506375
2-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanone
CID 97340121
N-ethyl-N-methyl-2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide
CID 75448273
2-[(2S)-1-(4-chlorobenzoyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanone
CID 95974386
4-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 71911861
8-[(2R)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 125136281

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-2-[(2S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-thiophen-2-yl-2-[(2S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanone (CID 124885634) is 1-thiophen-2-yl-2-[(2S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-thiophen-2-yl-2-[(2S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-thiophen-2-yl-2-[(2S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanone is O=C(C[C@@H]1CCCN1c1nccn2cnnc12)c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-2-[(2S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanone?
The InChIKey is XTEZLWQTECWPPU-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N5OS/c21-12(13-4-2-8-22-13)9-11-3-1-6-20(11)14-15-18-17-10-19(15)7-5-16-14/h2,4-5,7-8,10-11H,1,3,6,9H2/t11-/m0/s1.
What are the key properties of 1-thiophen-2-yl-2-[(2S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanone?
1-thiophen-2-yl-2-[(2S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanone has a molecular weight of 313.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-2-[(2S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 124885634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).