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

C10H11N5OS — CID 64579088

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(N2CCn3cnnc3C2)sc1C=O
InChIInChI=1S/C10H11N5OS/c1-7-8(5-16)17-10(12-7)14-2-3-15-6-11-13-9(15)4-14/h5-6H,2-4H2,1H3
InChIKeyJKKCCAPEHTUJSP-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.88
Rot. Bonds2

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

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde (PubChem CID 64579088) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
PubChem CID64579088
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(N2CCn3cnnc3C2)sc1C=O
InChIInChI=1S/C10H11N5OS/c1-7-8(5-16)17-10(12-7)14-2-3-15-6-11-13-9(15)4-14/h5-6H,2-4H2,1H3
InChIKeyJKKCCAPEHTUJSP-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
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)-4-methyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde (CID 64579088) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-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)-4-methyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde is Cc1nc(N2CCn3cnnc3C2)sc1C=O.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is JKKCCAPEHTUJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-7-8(5-16)17-10(12-7)14-2-3-15-6-11-13-9(15)4-14/h5-6H,2-4H2,1H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 249.30 g/mol, XLogP of 0.88, 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)-4-methyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 64579088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).