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

C13H12N6S — CID 65216249

IUPAC4-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)thiadiazole
SMILESc1ccc(C2NCCn3c(-c4csnn4)nnc32)cc1
InChIInChI=1S/C13H12N6S/c1-2-4-9(5-3-1)11-13-17-16-12(10-8-20-18-15-10)19(13)7-6-14-11/h1-5,8,11,14H,6-7H2
InChIKeyOKLXUOFNHYUSCP-UHFFFAOYSA-N
MW284.35 g/mol
LogP1.49
Rot. Bonds2

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

4-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)thiadiazole (PubChem CID 65216249) has the molecular formula C13H12N6S and a molecular weight of 284.35 g/mol. Its IUPAC name is 4-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)thiadiazole.

Molecular Properties

Compound Name4-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)thiadiazole
PubChem CID65216249
Molecular FormulaC13H12N6S
Molecular Weight284.35 g/mol
Exact Mass284.08
IUPAC Name4-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)thiadiazole
SMILESc1ccc(C2NCCn3c(-c4csnn4)nnc32)cc1
InChIInChI=1S/C13H12N6S/c1-2-4-9(5-3-1)11-13-17-16-12(10-8-20-18-15-10)19(13)7-6-14-11/h1-5,8,11,14H,6-7H2
InChIKeyOKLXUOFNHYUSCP-UHFFFAOYSA-N
XLogP1.49
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)thiadiazole?
The IUPAC name of 4-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)thiadiazole (CID 65216249) is 4-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)thiadiazole.
What is the SMILES notation for 4-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)thiadiazole?
The canonical SMILES for 4-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)thiadiazole is c1ccc(C2NCCn3c(-c4csnn4)nnc32)cc1.
What is the InChIKey of 4-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)thiadiazole?
The InChIKey is OKLXUOFNHYUSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6S/c1-2-4-9(5-3-1)11-13-17-16-12(10-8-20-18-15-10)19(13)7-6-14-11/h1-5,8,11,14H,6-7H2.
What are the key properties of 4-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)thiadiazole?
4-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)thiadiazole has a molecular weight of 284.35 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)thiadiazole is sourced from PubChem (CID 65216249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).