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

C12H17N5S — CID 114354491

IUPAC2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine
SMILESNC1CCCCC1c1nn2c(C3CC3)nnc2s1
InChIInChI=1S/C12H17N5S/c13-9-4-2-1-3-8(9)11-16-17-10(7-5-6-7)14-15-12(17)18-11/h7-9H,1-6,13H2
InChIKeyNAALZJHDULVULP-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.05
Rot. Bonds2

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

2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine (PubChem CID 114354491) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine
PubChem CID114354491
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine
SMILESNC1CCCCC1c1nn2c(C3CC3)nnc2s1
InChIInChI=1S/C12H17N5S/c13-9-4-2-1-3-8(9)11-16-17-10(7-5-6-7)14-15-12(17)18-11/h7-9H,1-6,13H2
InChIKeyNAALZJHDULVULP-UHFFFAOYSA-N
XLogP2.05
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-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 2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine?
The IUPAC name of 2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine (CID 114354491) is 2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine?
The canonical SMILES for 2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine is NC1CCCCC1c1nn2c(C3CC3)nnc2s1.
What is the InChIKey of 2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine?
The InChIKey is NAALZJHDULVULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c13-9-4-2-1-3-8(9)11-16-17-10(7-5-6-7)14-15-12(17)18-11/h7-9H,1-6,13H2.
What are the key properties of 2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine?
2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine has a molecular weight of 263.37 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine is sourced from PubChem (CID 114354491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).