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

C13H21N5OS — CID 114354845

IUPAC1-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-1-amine
SMILESCCCCC(N)c1nn2c(C3CCOCC3)nnc2s1
InChIInChI=1S/C13H21N5OS/c1-2-3-4-10(14)12-17-18-11(15-16-13(18)20-12)9-5-7-19-8-6-9/h9-10H,2-8,14H2,1H3
InChIKeyBVGNTNJVQYGTNQ-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.27
Rot. Bonds5

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

1-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-1-amine (PubChem CID 114354845) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-1-amine.

Molecular Properties

Compound Name1-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-1-amine
PubChem CID114354845
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name1-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-1-amine
SMILESCCCCC(N)c1nn2c(C3CCOCC3)nnc2s1
InChIInChI=1S/C13H21N5OS/c1-2-3-4-10(14)12-17-18-11(15-16-13(18)20-12)9-5-7-19-8-6-9/h9-10H,2-8,14H2,1H3
InChIKeyBVGNTNJVQYGTNQ-UHFFFAOYSA-N
XLogP2.27
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-1-amine with MolForge

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Related Compounds

2-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butan-1-amine
CID 114354868
6-(diethoxymethyl)-3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114356300
2-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butan-2-amine
CID 114354826
N-methyl-1-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine
CID 114354902
2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114354437
2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-2-amine
CID 114355066
3-methyl-2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butan-1-amine
CID 114354933
1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 114355882
6-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)heptan-2-amine
CID 114355597
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114354358
[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methanol
CID 114356341
3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114355792

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-1-amine?
The IUPAC name of 1-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-1-amine (CID 114354845) is 1-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-1-amine.
What is the SMILES notation for 1-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-1-amine?
The canonical SMILES for 1-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-1-amine is CCCCC(N)c1nn2c(C3CCOCC3)nnc2s1.
What is the InChIKey of 1-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-1-amine?
The InChIKey is BVGNTNJVQYGTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-2-3-4-10(14)12-17-18-11(15-16-13(18)20-12)9-5-7-19-8-6-9/h9-10H,2-8,14H2,1H3.
What are the key properties of 1-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-1-amine?
1-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-1-amine has a molecular weight of 295.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-1-amine is sourced from PubChem (CID 114354845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).