1-[5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C15H19N7O — CID 120858666

IUPAC1-[5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1nc2ncnn2c(C)c1CCc1nc(C2(N)CCC2)no1
InChIInChI=1S/C15H19N7O/c1-9-11(10(2)22-14(19-9)17-8-18-22)4-5-12-20-13(21-23-12)15(16)6-3-7-15/h8H,3-7,16H2,1-2H3
InChIKeyPGBYKJVDFBCFLD-UHFFFAOYSA-N
MW313.37 g/mol
LogP1.25
Rot. Bonds4

About 1-[5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120858666) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-[5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120858666
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name1-[5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1nc2ncnn2c(C)c1CCc1nc(C2(N)CCC2)no1
InChIInChI=1S/C15H19N7O/c1-9-11(10(2)22-14(19-9)17-8-18-22)4-5-12-20-13(21-23-12)15(16)6-3-7-15/h8H,3-7,16H2,1-2H3
InChIKeyPGBYKJVDFBCFLD-UHFFFAOYSA-N
XLogP1.25
TPSA108.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120858666) is 1-[5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is Cc1nc2ncnn2c(C)c1CCc1nc(C2(N)CCC2)no1.
What is the InChIKey of 1-[5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is PGBYKJVDFBCFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-9-11(10(2)22-14(19-9)17-8-18-22)4-5-12-20-13(21-23-12)15(16)6-3-7-15/h8H,3-7,16H2,1-2H3.
What are the key properties of 1-[5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 313.37 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120858666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).