1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone

C10H11N5OS — CID 64579086

IUPAC1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(N2CCn3cnnc3C2)n1
InChIInChI=1S/C10H11N5OS/c1-7(16)8-5-17-10(12-8)14-2-3-15-6-11-13-9(15)4-14/h5-6H,2-4H2,1H3
InChIKeyJTZJICLSRTXSGQ-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.96
Rot. Bonds2

About 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone

1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone (PubChem CID 64579086) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone
PubChem CID64579086
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(N2CCn3cnnc3C2)n1
InChIInChI=1S/C10H11N5OS/c1-7(16)8-5-17-10(12-8)14-2-3-15-6-11-13-9(15)4-14/h5-6H,2-4H2,1H3
InChIKeyJTZJICLSRTXSGQ-UHFFFAOYSA-N
XLogP0.96
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone (CID 64579086) is 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(N2CCn3cnnc3C2)n1.
What is the InChIKey of 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is JTZJICLSRTXSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-7(16)8-5-17-10(12-8)14-2-3-15-6-11-13-9(15)4-14/h5-6H,2-4H2,1H3.
What are the key properties of 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone?
1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 249.30 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64579086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).