3-cyclopropyl-5-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,2,4-thiadiazole

C15H18N8S — CID 133354316

IUPAC3-cyclopropyl-5-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1cc(N2CCN(c3nc(C4CC4)ns3)CC2)n2ncnc2n1
InChIInChI=1S/C15H18N8S/c1-10-8-12(23-14(18-10)16-9-17-23)21-4-6-22(7-5-21)15-19-13(20-24-15)11-2-3-11/h8-9,11H,2-7H2,1H3
InChIKeyWGGQNUFBMXWTRF-UHFFFAOYSA-N
MW342.43 g/mol
LogP1.49
Rot. Bonds3

About 3-cyclopropyl-5-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,2,4-thiadiazole

3-cyclopropyl-5-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 133354316) has the molecular formula C15H18N8S and a molecular weight of 342.43 g/mol. Its IUPAC name is 3-cyclopropyl-5-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID133354316
Molecular FormulaC15H18N8S
Molecular Weight342.43 g/mol
Exact Mass342.14
IUPAC Name3-cyclopropyl-5-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1cc(N2CCN(c3nc(C4CC4)ns3)CC2)n2ncnc2n1
InChIInChI=1S/C15H18N8S/c1-10-8-12(23-14(18-10)16-9-17-23)21-4-6-22(7-5-21)15-19-13(20-24-15)11-2-3-11/h8-9,11H,2-7H2,1H3
InChIKeyWGGQNUFBMXWTRF-UHFFFAOYSA-N
XLogP1.49
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,2,4-thiadiazole (CID 133354316) is 3-cyclopropyl-5-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,2,4-thiadiazole is Cc1cc(N2CCN(c3nc(C4CC4)ns3)CC2)n2ncnc2n1.
What is the InChIKey of 3-cyclopropyl-5-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is WGGQNUFBMXWTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8S/c1-10-8-12(23-14(18-10)16-9-17-23)21-4-6-22(7-5-21)15-19-13(20-24-15)11-2-3-11/h8-9,11H,2-7H2,1H3.
What are the key properties of 3-cyclopropyl-5-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 342.43 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 133354316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).