1-amino-3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-ol

C9H15N5OS — CID 114354185

IUPAC1-amino-3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-ol
SMILESCCc1nnc2sc(CC(C)(O)CN)nn12
InChIInChI=1S/C9H15N5OS/c1-3-6-11-12-8-14(6)13-7(16-8)4-9(2,15)5-10/h15H,3-5,10H2,1-2H3
InChIKeyMJSIBFSPZATZIU-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.00
Rot. Bonds4

About 1-amino-3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-ol

1-amino-3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-ol (PubChem CID 114354185) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-amino-3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-ol
PubChem CID114354185
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name1-amino-3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-ol
SMILESCCc1nnc2sc(CC(C)(O)CN)nn12
InChIInChI=1S/C9H15N5OS/c1-3-6-11-12-8-14(6)13-7(16-8)4-9(2,15)5-10/h15H,3-5,10H2,1-2H3
InChIKeyMJSIBFSPZATZIU-UHFFFAOYSA-N
XLogP0.00
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-amine
CID 114354108
1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylbutan-2-amine
CID 114354219
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
(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)hydrazine
CID 91679130
1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
CID 114356334
4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 952391
[1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cycloheptyl]methanamine
CID 114354027
3-ethyl-6-(piperidin-3-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114354178
2-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol
CID 136991481
3-ethyl-N-(propan-2-ylideneamino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 91687144
(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine
CID 28812162
N-[(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine
CID 114353532

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-ol (CID 114354185) is 1-amino-3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-ol is CCc1nnc2sc(CC(C)(O)CN)nn12.
What is the InChIKey of 1-amino-3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-ol?
The InChIKey is MJSIBFSPZATZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-3-6-11-12-8-14(6)13-7(16-8)4-9(2,15)5-10/h15H,3-5,10H2,1-2H3.
What are the key properties of 1-amino-3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-ol?
1-amino-3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-ol has a molecular weight of 241.32 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 114354185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).