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

C15H16N6S — CID 71861524

IUPAC3-ethyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCn3c(nnc3-c3ccccc3)C2)n1
InChIInChI=1S/C15H16N6S/c1-2-12-16-15(22-19-12)20-8-9-21-13(10-20)17-18-14(21)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyPDRRTXOYJDXICT-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.38
Rot. Bonds3

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

3-ethyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole (PubChem CID 71861524) has the molecular formula C15H16N6S and a molecular weight of 312.40 g/mol. Its IUPAC name is 3-ethyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole
PubChem CID71861524
Molecular FormulaC15H16N6S
Molecular Weight312.40 g/mol
Exact Mass312.12
IUPAC Name3-ethyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCn3c(nnc3-c3ccccc3)C2)n1
InChIInChI=1S/C15H16N6S/c1-2-12-16-15(22-19-12)20-8-9-21-13(10-20)17-18-14(21)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyPDRRTXOYJDXICT-UHFFFAOYSA-N
XLogP2.38
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole (CID 71861524) is 3-ethyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole is CCc1nsc(N2CCn3c(nnc3-c3ccccc3)C2)n1.
What is the InChIKey of 3-ethyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole?
The InChIKey is PDRRTXOYJDXICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6S/c1-2-12-16-15(22-19-12)20-8-9-21-13(10-20)17-18-14(21)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3.
What are the key properties of 3-ethyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole?
3-ethyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole has a molecular weight of 312.40 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 71861524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).