5-[1-(azetidin-3-yl)triazol-4-yl]-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole

C12H18N6O — CID 79316324

IUPAC5-[1-(azetidin-3-yl)triazol-4-yl]-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole
SMILESCC(C)(C)Cc1noc(-c2cn(C3CNC3)nn2)n1
InChIInChI=1S/C12H18N6O/c1-12(2,3)4-10-14-11(19-16-10)9-7-18(17-15-9)8-5-13-6-8/h7-8,13H,4-6H2,1-3H3
InChIKeyZBPIHCXZLCTVHB-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.06
Rot. Bonds3

About 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole

5-[1-(azetidin-3-yl)triazol-4-yl]-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole (PubChem CID 79316324) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(azetidin-3-yl)triazol-4-yl]-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole
PubChem CID79316324
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name5-[1-(azetidin-3-yl)triazol-4-yl]-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole
SMILESCC(C)(C)Cc1noc(-c2cn(C3CNC3)nn2)n1
InChIInChI=1S/C12H18N6O/c1-12(2,3)4-10-14-11(19-16-10)9-7-18(17-15-9)8-5-13-6-8/h7-8,13H,4-6H2,1-3H3
InChIKeyZBPIHCXZLCTVHB-UHFFFAOYSA-N
XLogP1.06
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-(azetidin-3-yl)triazol-4-yl]-3-(3-methoxypropyl)-1,2,4-oxadiazole
CID 79317181
5-[1-(azetidin-3-yl)triazol-4-yl]-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole
CID 79311750
5-[1-(azetidin-3-yl)triazol-4-yl]-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808315
5-[1-(azetidin-3-yl)triazol-4-yl]-3-(1-methoxyethyl)-1,2,4-oxadiazole
CID 79614409
3-(2,2-dimethylpropyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63891700
5-(1-cyclohexyltriazol-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56894271
1-[4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 91891820
[(3R)-3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 99759333
1-(azetidin-3-yl)-4-(4-methyl-1,2,4-triazol-3-yl)triazole
CID 79316887
1-(azetidin-3-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
CID 106415982
1-(azetidin-3-yl)-4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)triazole
CID 79316170
[(3R)-3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-phenylmethanone
CID 99757505

Frequently Asked Questions

What is the IUPAC name of 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole (CID 79316324) is 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole is CC(C)(C)Cc1noc(-c2cn(C3CNC3)nn2)n1.
What is the InChIKey of 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole?
The InChIKey is ZBPIHCXZLCTVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-12(2,3)4-10-14-11(19-16-10)9-7-18(17-15-9)8-5-13-6-8/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole?
5-[1-(azetidin-3-yl)triazol-4-yl]-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole has a molecular weight of 262.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79316324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).