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

C13H19N5OS — CID 114353778

IUPAC[1-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopentyl]methanamine
SMILESNCC1(c2nn3c(C4CCCO4)nnc3s2)CCCC1
InChIInChI=1S/C13H19N5OS/c14-8-13(5-1-2-6-13)11-17-18-10(9-4-3-7-19-9)15-16-12(18)20-11/h9H,1-8,14H2
InChIKeyIRSPNMAHPXAYPU-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.81
Rot. Bonds3

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

[1-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopentyl]methanamine (PubChem CID 114353778) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is [1-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopentyl]methanamine
PubChem CID114353778
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name[1-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopentyl]methanamine
SMILESNCC1(c2nn3c(C4CCCO4)nnc3s2)CCCC1
InChIInChI=1S/C13H19N5OS/c14-8-13(5-1-2-6-13)11-17-18-10(9-4-3-7-19-9)15-16-12(18)20-11/h9H,1-8,14H2
InChIKeyIRSPNMAHPXAYPU-UHFFFAOYSA-N
XLogP1.81
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]methanamine
CID 114354289
2-methyl-2-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-1-amine
CID 114353951
2-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine
CID 114353794
[1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopropyl]methanamine
CID 114355051
3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carbaldehyde
CID 114356284
[2-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopentyl]methanamine
CID 114353961
[1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cycloheptyl]methanamine
CID 114354027
2-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-1-amine
CID 114353751
2-methyl-4-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butan-1-amine
CID 114353965
[5-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]furan-2-yl]methanamine
CID 114353797
2-[[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]butan-1-amine
CID 114353836
N-[[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]ethanamine
CID 114353920

Frequently Asked Questions

What is the IUPAC name of [1-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopentyl]methanamine?
The IUPAC name of [1-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopentyl]methanamine (CID 114353778) is [1-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopentyl]methanamine?
The canonical SMILES for [1-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopentyl]methanamine is NCC1(c2nn3c(C4CCCO4)nnc3s2)CCCC1.
What is the InChIKey of [1-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopentyl]methanamine?
The InChIKey is IRSPNMAHPXAYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c14-8-13(5-1-2-6-13)11-17-18-10(9-4-3-7-19-9)15-16-12(18)20-11/h9H,1-8,14H2.
What are the key properties of [1-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopentyl]methanamine?
[1-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopentyl]methanamine has a molecular weight of 293.40 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopentyl]methanamine is sourced from PubChem (CID 114353778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).