N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-propylpentanamide

C19H28N4O3 — CID 121116164

About N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-propylpentanamide

N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-propylpentanamide (PubChem CID 121116164) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-propylpentanamide.

Molecular Properties

• Compound Name: N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-propylpentanamide
• PubChem CID: 121116164
• Molecular Formula: C19H28N4O3
• Molecular Weight: 360.46 g/mol
• Exact Mass: 360.22
• IUPAC Name: N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-propylpentanamide
• SMILES: CCCC(CCC)C(=O)NCCn1nc(-c2ccco2)n(C2CC2)c1=O
• InChI: InChI=1S/C19H28N4O3/c1-3-6-14(7-4-2)18(24)20-11-12-22-19(25)23(15-9-10-15)17(21-22)16-8-5-13-26-16/h5,8,13-15H,3-4,6-7,9-12H2,1-2H3,(H,20,24)
• InChIKey: HFTNCZGBCSZPBA-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 82.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.46
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-propylpentanamide?

The IUPAC name of N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-propylpentanamide (CID 121116164) is N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-propylpentanamide.

What is the SMILES notation for N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-propylpentanamide?

The canonical SMILES for N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-propylpentanamide is CCCC(CCC)C(=O)NCCn1nc(-c2ccco2)n(C2CC2)c1=O.

What is the InChIKey of N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-propylpentanamide?

The InChIKey is HFTNCZGBCSZPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-3-6-14(7-4-2)18(24)20-11-12-22-19(25)23(15-9-10-15)17(21-22)16-8-5-13-26-16/h5,8,13-15H,3-4,6-7,9-12H2,1-2H3,(H,20,24).

What are the key properties of N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-propylpentanamide?

N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-propylpentanamide has a molecular weight of 360.46 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-propylpentanamide is sourced from PubChem (CID 121116164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).