[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

C20H24N6OS — CID 91818624

IUPAC[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCc1nnc2c(N3CCN(C(=O)C4(c5cccs5)CCCC4)CC3)nccn12
InChIInChI=1S/C20H24N6OS/c1-15-22-23-18-17(21-8-9-26(15)18)24-10-12-25(13-11-24)19(27)20(6-2-3-7-20)16-5-4-14-28-16/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3
InChIKeyAUFUVDSOUXSQOR-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.65
Rot. Bonds3

About [4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 91818624) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is [4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID91818624
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCc1nnc2c(N3CCN(C(=O)C4(c5cccs5)CCCC4)CC3)nccn12
InChIInChI=1S/C20H24N6OS/c1-15-22-23-18-17(21-8-9-26(15)18)24-10-12-25(13-11-24)19(27)20(6-2-3-7-20)16-5-4-14-28-16/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3
InChIKeyAUFUVDSOUXSQOR-UHFFFAOYSA-N
XLogP2.65
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of [4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (CID 91818624) is [4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for [4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for [4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is Cc1nnc2c(N3CCN(C(=O)C4(c5cccs5)CCCC4)CC3)nccn12.
What is the InChIKey of [4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is AUFUVDSOUXSQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-15-22-23-18-17(21-8-9-26(15)18)24-10-12-25(13-11-24)19(27)20(6-2-3-7-20)16-5-4-14-28-16/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3.
What are the key properties of [4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 396.52 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 91818624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).