[5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-2-yl]methanamine

C13H14N6OS — CID 114353168

About [5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-2-yl]methanamine

[5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-2-yl]methanamine (PubChem CID 114353168) has the molecular formula C13H14N6OS and a molecular weight of 302.36 g/mol. Its IUPAC name is [5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-2-yl]methanamine.

Molecular Properties

• Compound Name: [5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-2-yl]methanamine
• PubChem CID: 114353168
• Molecular Formula: C13H14N6OS
• Molecular Weight: 302.36 g/mol
• Exact Mass: 302.09
• IUPAC Name: [5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-2-yl]methanamine
• SMILES: NCC1CCC(c2nn3c(-c4cccnc4)nnc3s2)O1
• InChI: InChI=1S/C13H14N6OS/c14-6-9-3-4-10(20-9)12-18-19-11(16-17-13(19)21-12)8-2-1-5-15-7-8/h1-2,5,7,9-10H,3-4,6,14H2
• InChIKey: SORDFSHXGRVXRT-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 91.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.36
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-2-yl]methanamine?

The IUPAC name of [5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-2-yl]methanamine (CID 114353168) is [5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-2-yl]methanamine.

What is the SMILES notation for [5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-2-yl]methanamine?

The canonical SMILES for [5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-2-yl]methanamine is NCC1CCC(c2nn3c(-c4cccnc4)nnc3s2)O1.

What is the InChIKey of [5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-2-yl]methanamine?

The InChIKey is SORDFSHXGRVXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6OS/c14-6-9-3-4-10(20-9)12-18-19-11(16-17-13(19)21-12)8-2-1-5-15-7-8/h1-2,5,7,9-10H,3-4,6,14H2.

What are the key properties of [5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-2-yl]methanamine?

[5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-2-yl]methanamine has a molecular weight of 302.36 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-2-yl]methanamine is sourced from PubChem (CID 114353168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).