5-(2-aminoethyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid

C10H14N6O3 — CID 103119334

About 5-(2-aminoethyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid

5-(2-aminoethyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid (PubChem CID 103119334) has the molecular formula C10H14N6O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 5-(2-aminoethyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid
• PubChem CID: 103119334
• Molecular Formula: C10H14N6O3
• Molecular Weight: 266.26 g/mol
• Exact Mass: 266.11
• IUPAC Name: 5-(2-aminoethyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid
• SMILES: CCc1noc(Cn2nnc(C(=O)O)c2CCN)n1
• InChI: InChI=1S/C10H14N6O3/c1-2-7-12-8(19-14-7)5-16-6(3-4-11)9(10(17)18)13-15-16/h2-5,11H2,1H3,(H,17,18)
• InChIKey: KGDSTEWHZCLDAO-UHFFFAOYSA-N
• XLogP: -0.53
• TPSA: 132.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	266.26
LogP ≤ 5	-0.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid?

The IUPAC name of 5-(2-aminoethyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid (CID 103119334) is 5-(2-aminoethyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid.

What is the SMILES notation for 5-(2-aminoethyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid?

The canonical SMILES for 5-(2-aminoethyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid is CCc1noc(Cn2nnc(C(=O)O)c2CCN)n1.

What is the InChIKey of 5-(2-aminoethyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid?

The InChIKey is KGDSTEWHZCLDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O3/c1-2-7-12-8(19-14-7)5-16-6(3-4-11)9(10(17)18)13-15-16/h2-5,11H2,1H3,(H,17,18).

What are the key properties of 5-(2-aminoethyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid?

5-(2-aminoethyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid has a molecular weight of 266.26 g/mol, XLogP of -0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-aminoethyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 103119334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).