4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine

C13H19N5OS — CID 114355513

IUPAC4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine
SMILESCNC1COCC1c1nn2c(C3CCCC3)nnc2s1
InChIInChI=1S/C13H19N5OS/c1-14-10-7-19-6-9(10)12-17-18-11(8-4-2-3-5-8)15-16-13(18)20-12/h8-10,14H,2-7H2,1H3
InChIKeyXEQLLGFIJNDSNM-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.55
Rot. Bonds3

About 4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine

4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine (PubChem CID 114355513) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine.

Molecular Properties

Compound Name4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine
PubChem CID114355513
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine
SMILESCNC1COCC1c1nn2c(C3CCCC3)nnc2s1
InChIInChI=1S/C13H19N5OS/c1-14-10-7-19-6-9(10)12-17-18-11(8-4-2-3-5-8)15-16-13(18)20-12/h8-10,14H,2-7H2,1H3
InChIKeyXEQLLGFIJNDSNM-UHFFFAOYSA-N
XLogP1.55
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine?
The IUPAC name of 4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine (CID 114355513) is 4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine.
What is the SMILES notation for 4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine?
The canonical SMILES for 4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine is CNC1COCC1c1nn2c(C3CCCC3)nnc2s1.
What is the InChIKey of 4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine?
The InChIKey is XEQLLGFIJNDSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-14-10-7-19-6-9(10)12-17-18-11(8-4-2-3-5-8)15-16-13(18)20-12/h8-10,14H,2-7H2,1H3.
What are the key properties of 4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine?
4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine has a molecular weight of 293.40 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine is sourced from PubChem (CID 114355513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).