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

C16H16N6S — CID 71861525

IUPAC3-cyclopropyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole
SMILESc1ccc(-c2nnc3n2CCN(c2nc(C4CC4)ns2)C3)cc1
InChIInChI=1S/C16H16N6S/c1-2-4-12(5-3-1)15-19-18-13-10-21(8-9-22(13)15)16-17-14(20-23-16)11-6-7-11/h1-5,11H,6-10H2
InChIKeyXDTZPFSNTYEYTL-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.69
Rot. Bonds3

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

3-cyclopropyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole (PubChem CID 71861525) has the molecular formula C16H16N6S and a molecular weight of 324.41 g/mol. Its IUPAC name is 3-cyclopropyl-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-cyclopropyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole
PubChem CID71861525
Molecular FormulaC16H16N6S
Molecular Weight324.41 g/mol
Exact Mass324.12
IUPAC Name3-cyclopropyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole
SMILESc1ccc(-c2nnc3n2CCN(c2nc(C4CC4)ns2)C3)cc1
InChIInChI=1S/C16H16N6S/c1-2-4-12(5-3-1)15-19-18-13-10-21(8-9-22(13)15)16-17-14(20-23-16)11-6-7-11/h1-5,11H,6-10H2
InChIKeyXDTZPFSNTYEYTL-UHFFFAOYSA-N
XLogP2.69
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-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-cyclopropyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole (CID 71861525) is 3-cyclopropyl-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-cyclopropyl-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-cyclopropyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole is c1ccc(-c2nnc3n2CCN(c2nc(C4CC4)ns2)C3)cc1.
What is the InChIKey of 3-cyclopropyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole?
The InChIKey is XDTZPFSNTYEYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6S/c1-2-4-12(5-3-1)15-19-18-13-10-21(8-9-22(13)15)16-17-14(20-23-16)11-6-7-11/h1-5,11H,6-10H2.
What are the key properties of 3-cyclopropyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole?
3-cyclopropyl-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 324.41 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-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 71861525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).