3-[[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole

C15H20N8O — CID 133342852

IUPAC3-[[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CN2CCN(c3c(C)c(C)nc4ncnn34)CC2)no1
InChIInChI=1S/C15H20N8O/c1-10-11(2)18-15-16-9-17-23(15)14(10)22-6-4-21(5-7-22)8-13-19-12(3)24-20-13/h9H,4-8H2,1-3H3
InChIKeyAIDXBRNNYHDOPL-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.75
Rot. Bonds3

About 3-[[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole

3-[[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 133342852) has the molecular formula C15H20N8O and a molecular weight of 328.38 g/mol. Its IUPAC name is 3-[[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID133342852
Molecular FormulaC15H20N8O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name3-[[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CN2CCN(c3c(C)c(C)nc4ncnn34)CC2)no1
InChIInChI=1S/C15H20N8O/c1-10-11(2)18-15-16-9-17-23(15)14(10)22-6-4-21(5-7-22)8-13-19-12(3)24-20-13/h9H,4-8H2,1-3H3
InChIKeyAIDXBRNNYHDOPL-UHFFFAOYSA-N
XLogP0.75
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-6-fluoro-1,2-benzoxazole
CID 171999160
5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53017023
5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53017019
4-[6-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
CID 155976480
7-(4,4-difluoropiperidin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 162521895
3-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 165431907
2-cyclopropyl-5-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3,4-oxadiazole
CID 163344567
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 55119293
3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 165431847
5-methyl-3-[[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 163349084
5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 139023471
7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 154582671

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole (CID 133342852) is 3-[[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(CN2CCN(c3c(C)c(C)nc4ncnn34)CC2)no1.
What is the InChIKey of 3-[[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is AIDXBRNNYHDOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8O/c1-10-11(2)18-15-16-9-17-23(15)14(10)22-6-4-21(5-7-22)8-13-19-12(3)24-20-13/h9H,4-8H2,1-3H3.
What are the key properties of 3-[[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
3-[[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 328.38 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 133342852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).