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

C16H21N7O — CID 71892460

IUPAC5-methyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]-1,2,4-oxadiazole
SMILESCc1nc(C2CCCCN2c2cc(C(C)C)nc3ncnn23)no1
InChIInChI=1S/C16H21N7O/c1-10(2)12-8-14(23-16(20-12)17-9-18-23)22-7-5-4-6-13(22)15-19-11(3)24-21-15/h8-10,13H,4-7H2,1-3H3
InChIKeyDYCVICGXTWDBFX-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.67
Rot. Bonds3

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

5-methyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]-1,2,4-oxadiazole (PubChem CID 71892460) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-methyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]-1,2,4-oxadiazole
PubChem CID71892460
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name5-methyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]-1,2,4-oxadiazole
SMILESCc1nc(C2CCCCN2c2cc(C(C)C)nc3ncnn23)no1
InChIInChI=1S/C16H21N7O/c1-10(2)12-8-14(23-16(20-12)17-9-18-23)22-7-5-4-6-13(22)15-19-11(3)24-21-15/h8-10,13H,4-7H2,1-3H3
InChIKeyDYCVICGXTWDBFX-UHFFFAOYSA-N
XLogP2.67
TPSA85.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]-1,2,4-oxadiazole (CID 71892460) is 5-methyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]-1,2,4-oxadiazole is Cc1nc(C2CCCCN2c2cc(C(C)C)nc3ncnn23)no1.
What is the InChIKey of 5-methyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is DYCVICGXTWDBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-10(2)12-8-14(23-16(20-12)17-9-18-23)22-7-5-4-6-13(22)15-19-11(3)24-21-15/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 5-methyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]-1,2,4-oxadiazole?
5-methyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 327.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 71892460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).