2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-2-amine

C12H19N5OS — CID 114355066

IUPAC2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-2-amine
SMILESCCCC(C)(N)c1nn2c(C3CCOC3)nnc2s1
InChIInChI=1S/C12H19N5OS/c1-3-5-12(2,13)10-16-17-9(8-4-6-18-7-8)14-15-11(17)19-10/h8H,3-7,13H2,1-2H3
InChIKeyORVJMBBZLYYEGH-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.66
Rot. Bonds4

About 2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-2-amine

2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-2-amine (PubChem CID 114355066) has the molecular formula C12H19N5OS and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-2-amine.

Molecular Properties

Compound Name2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-2-amine
PubChem CID114355066
Molecular FormulaC12H19N5OS
Molecular Weight281.38 g/mol
Exact Mass281.13
IUPAC Name2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-2-amine
SMILESCCCC(C)(N)c1nn2c(C3CCOC3)nnc2s1
InChIInChI=1S/C12H19N5OS/c1-3-5-12(2,13)10-16-17-9(8-4-6-18-7-8)14-15-11(17)19-10/h8H,3-7,13H2,1-2H3
InChIKeyORVJMBBZLYYEGH-UHFFFAOYSA-N
XLogP1.66
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-2-amine?
The IUPAC name of 2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-2-amine (CID 114355066) is 2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-2-amine.
What is the SMILES notation for 2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-2-amine?
The canonical SMILES for 2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-2-amine is CCCC(C)(N)c1nn2c(C3CCOC3)nnc2s1.
What is the InChIKey of 2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-2-amine?
The InChIKey is ORVJMBBZLYYEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5OS/c1-3-5-12(2,13)10-16-17-9(8-4-6-18-7-8)14-15-11(17)19-10/h8H,3-7,13H2,1-2H3.
What are the key properties of 2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-2-amine?
2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-2-amine has a molecular weight of 281.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-2-amine is sourced from PubChem (CID 114355066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).