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

C9H9N5OS — CID 64579085

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(N2CCn3cnnc3C2)s1
InChIInChI=1S/C9H9N5OS/c15-5-7-3-10-9(16-7)13-1-2-14-6-11-12-8(14)4-13/h3,5-6H,1-2,4H2
InChIKeyNODCEGSOZNLUBT-UHFFFAOYSA-N
MW235.27 g/mol
LogP0.57
Rot. Bonds2

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

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 64579085) has the molecular formula C9H9N5OS and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID64579085
Molecular FormulaC9H9N5OS
Molecular Weight235.27 g/mol
Exact Mass235.05
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(N2CCn3cnnc3C2)s1
InChIInChI=1S/C9H9N5OS/c15-5-7-3-10-9(16-7)13-1-2-14-6-11-12-8(14)4-13/h3,5-6H,1-2,4H2
InChIKeyNODCEGSOZNLUBT-UHFFFAOYSA-N
XLogP0.57
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde (CID 64579085) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(N2CCn3cnnc3C2)s1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is NODCEGSOZNLUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5OS/c15-5-7-3-10-9(16-7)13-1-2-14-6-11-12-8(14)4-13/h3,5-6H,1-2,4H2.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 235.27 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 64579085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).