3-[(3S)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole

C17H23N7O — CID 95780420

IUPAC3-[(3S)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nc2ncnn2c(N2CCC[C@H](c3noc(C(C)C)n3)C2)c1C
InChIInChI=1S/C17H23N7O/c1-10(2)15-21-14(22-25-15)13-6-5-7-23(8-13)16-11(3)12(4)20-17-18-9-19-24(16)17/h9-10,13H,5-8H2,1-4H3/t13-/m0/s1
InChIKeyWPIPRZZBSVEYJP-ZDUSSCGKSA-N
MW341.42 g/mol
LogP2.63
Rot. Bonds3

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

3-[(3S)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 95780420) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-[(3S)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3S)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID95780420
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name3-[(3S)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nc2ncnn2c(N2CCC[C@H](c3noc(C(C)C)n3)C2)c1C
InChIInChI=1S/C17H23N7O/c1-10(2)15-21-14(22-25-15)13-6-5-7-23(8-13)16-11(3)12(4)20-17-18-9-19-24(16)17/h9-10,13H,5-8H2,1-4H3/t13-/m0/s1
InChIKeyWPIPRZZBSVEYJP-ZDUSSCGKSA-N
XLogP2.63
TPSA85.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(3S)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole (CID 95780420) is 3-[(3S)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3S)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3S)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole is Cc1nc2ncnn2c(N2CCC[C@H](c3noc(C(C)C)n3)C2)c1C.
What is the InChIKey of 3-[(3S)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is WPIPRZZBSVEYJP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N7O/c1-10(2)15-21-14(22-25-15)13-6-5-7-23(8-13)16-11(3)12(4)20-17-18-9-19-24(16)17/h9-10,13H,5-8H2,1-4H3/t13-/m0/s1.
What are the key properties of 3-[(3S)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole?
3-[(3S)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 341.42 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 95780420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).