4-methoxy-1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine

C11H19N5OS — CID 114354523

IUPAC4-methoxy-1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
SMILESCOCCCC(N)c1nn2c(C(C)C)nnc2s1
InChIInChI=1S/C11H19N5OS/c1-7(2)9-13-14-11-16(9)15-10(18-11)8(12)5-4-6-17-3/h7-8H,4-6,12H2,1-3H3
InChIKeySGYOZLFMWJDIPY-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.74
Rot. Bonds6

About 4-methoxy-1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine

4-methoxy-1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine (PubChem CID 114354523) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-methoxy-1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
PubChem CID114354523
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name4-methoxy-1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
SMILESCOCCCC(N)c1nn2c(C(C)C)nnc2s1
InChIInChI=1S/C11H19N5OS/c1-7(2)9-13-14-11-16(9)15-10(18-11)8(12)5-4-6-17-3/h7-8H,4-6,12H2,1-3H3
InChIKeySGYOZLFMWJDIPY-UHFFFAOYSA-N
XLogP1.74
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methoxy-1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine?
The IUPAC name of 4-methoxy-1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine (CID 114354523) is 4-methoxy-1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine.
What is the SMILES notation for 4-methoxy-1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine?
The canonical SMILES for 4-methoxy-1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine is COCCCC(N)c1nn2c(C(C)C)nnc2s1.
What is the InChIKey of 4-methoxy-1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine?
The InChIKey is SGYOZLFMWJDIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-7(2)9-13-14-11-16(9)15-10(18-11)8(12)5-4-6-17-3/h7-8H,4-6,12H2,1-3H3.
What are the key properties of 4-methoxy-1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine?
4-methoxy-1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine has a molecular weight of 269.37 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine is sourced from PubChem (CID 114354523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).