4-[propyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]oxolane-3-carboxylic acid

C14H24N4O3 — CID 66252286

About 4-[propyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]oxolane-3-carboxylic acid

4-[propyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]oxolane-3-carboxylic acid (PubChem CID 66252286) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[propyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-[propyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
• PubChem CID: 66252286
• Molecular Formula: C14H24N4O3
• Molecular Weight: 296.37 g/mol
• Exact Mass: 296.18
• IUPAC Name: 4-[propyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
• SMILES: CCCN(Cc1ncnn1CCC)C1COCC1C(=O)O
• InChI: InChI=1S/C14H24N4O3/c1-3-5-17(12-9-21-8-11(12)14(19)20)7-13-15-10-16-18(13)6-4-2/h10-12H,3-9H2,1-2H3,(H,19,20)
• InChIKey: UJNMBYHMFMWXGS-UHFFFAOYSA-N
• XLogP: 1.00
• TPSA: 80.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.37
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[propyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]oxolane-3-carboxylic acid?

The IUPAC name of 4-[propyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]oxolane-3-carboxylic acid (CID 66252286) is 4-[propyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]oxolane-3-carboxylic acid.

What is the SMILES notation for 4-[propyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]oxolane-3-carboxylic acid?

The canonical SMILES for 4-[propyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]oxolane-3-carboxylic acid is CCCN(Cc1ncnn1CCC)C1COCC1C(=O)O.

What is the InChIKey of 4-[propyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]oxolane-3-carboxylic acid?

The InChIKey is UJNMBYHMFMWXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-3-5-17(12-9-21-8-11(12)14(19)20)7-13-15-10-16-18(13)6-4-2/h10-12H,3-9H2,1-2H3,(H,19,20).

What are the key properties of 4-[propyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]oxolane-3-carboxylic acid?

4-[propyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]oxolane-3-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[propyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66252286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).