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

C16H18N6S — CID 75377001

IUPAC5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CCn3c(nnc3-c3ccccc3)C2)n1
InChIInChI=1S/C16H18N6S/c1-11(2)14-17-16(23-20-14)21-8-9-22-13(10-21)18-19-15(22)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyHYXBXVFIPITSGS-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.94
Rot. Bonds3

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

5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 75377001) has the molecular formula C16H18N6S and a molecular weight of 326.43 g/mol. Its IUPAC name is 5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID75377001
Molecular FormulaC16H18N6S
Molecular Weight326.43 g/mol
Exact Mass326.13
IUPAC Name5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CCn3c(nnc3-c3ccccc3)C2)n1
InChIInChI=1S/C16H18N6S/c1-11(2)14-17-16(23-20-14)21-8-9-22-13(10-21)18-19-15(22)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyHYXBXVFIPITSGS-UHFFFAOYSA-N
XLogP2.94
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-propan-2-yl-1,2,4-thiadiazole (CID 75377001) is 5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nsc(N2CCn3c(nnc3-c3ccccc3)C2)n1.
What is the InChIKey of 5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is HYXBXVFIPITSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6S/c1-11(2)14-17-16(23-20-14)21-8-9-22-13(10-21)18-19-15(22)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3.
What are the key properties of 5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-propan-2-yl-1,2,4-thiadiazole?
5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 326.43 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 75377001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).