1-amino-2-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol

C12H19N5O2S — CID 114354886

IUPAC1-amino-2-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol
SMILESCC(O)(CN)Cc1nn2c(C3CCOCC3)nnc2s1
InChIInChI=1S/C12H19N5O2S/c1-12(18,7-13)6-9-16-17-10(14-15-11(17)20-9)8-2-4-19-5-3-8/h8,18H,2-7,13H2,1H3
InChIKeyXQVAHUHSZZBSOX-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.33
Rot. Bonds4

About 1-amino-2-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol

1-amino-2-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol (PubChem CID 114354886) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-amino-2-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol
PubChem CID114354886
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name1-amino-2-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol
SMILESCC(O)(CN)Cc1nn2c(C3CCOCC3)nnc2s1
InChIInChI=1S/C12H19N5O2S/c1-12(18,7-13)6-9-16-17-10(14-15-11(17)20-9)8-2-4-19-5-3-8/h8,18H,2-7,13H2,1H3
InChIKeyXQVAHUHSZZBSOX-UHFFFAOYSA-N
XLogP0.33
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-amino-2-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-2-methyl-3-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol
CID 114355113
[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methanol
CID 114356341
2-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butan-2-amine
CID 114354826
1-amino-3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-ol
CID 114354185
1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-amine
CID 114354921
5-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentanoic acid
CID 114352683
2-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butan-1-amine
CID 114354868
3-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propanoic acid
CID 114352633
5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylpentan-1-amine
CID 114355934
4-[[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]aniline
CID 114355000
2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 114355495
1-[[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]cyclobutan-1-amine
CID 114355115

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol?
The IUPAC name of 1-amino-2-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol (CID 114354886) is 1-amino-2-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol?
The canonical SMILES for 1-amino-2-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol is CC(O)(CN)Cc1nn2c(C3CCOCC3)nnc2s1.
What is the InChIKey of 1-amino-2-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol?
The InChIKey is XQVAHUHSZZBSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-12(18,7-13)6-9-16-17-10(14-15-11(17)20-9)8-2-4-19-5-3-8/h8,18H,2-7,13H2,1H3.
What are the key properties of 1-amino-2-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol?
1-amino-2-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol has a molecular weight of 297.38 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol is sourced from PubChem (CID 114354886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).