3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-3-hydroxy-N-naphthalen-1-ylpropanamide

C26H26N4O2 — CID 121345869

About 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-3-hydroxy-N-naphthalen-1-ylpropanamide

3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-3-hydroxy-N-naphthalen-1-ylpropanamide (PubChem CID 121345869) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-3-hydroxy-N-naphthalen-1-ylpropanamide.

Molecular Properties

• Compound Name: 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-3-hydroxy-N-naphthalen-1-ylpropanamide
• PubChem CID: 121345869
• Molecular Formula: C26H26N4O2
• Molecular Weight: 426.52 g/mol
• Exact Mass: 426.21
• IUPAC Name: 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-3-hydroxy-N-naphthalen-1-ylpropanamide
• SMILES: CCn1c(C(O)CC(=O)Nc2cccc3ccccc23)nnc1C1Cc2ccccc2C1
• InChI: InChI=1S/C26H26N4O2/c1-2-30-25(20-14-18-9-3-4-10-19(18)15-20)28-29-26(30)23(31)16-24(32)27-22-13-7-11-17-8-5-6-12-21(17)22/h3-13,20,23,31H,2,14-16H2,1H3,(H,27,32)
• InChIKey: PAQMKTSQYBYEJZ-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 80.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.52
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-3-hydroxy-N-naphthalen-1-ylpropanamide?

The IUPAC name of 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-3-hydroxy-N-naphthalen-1-ylpropanamide (CID 121345869) is 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-3-hydroxy-N-naphthalen-1-ylpropanamide.

What is the SMILES notation for 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-3-hydroxy-N-naphthalen-1-ylpropanamide?

The canonical SMILES for 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-3-hydroxy-N-naphthalen-1-ylpropanamide is CCn1c(C(O)CC(=O)Nc2cccc3ccccc23)nnc1C1Cc2ccccc2C1.

What is the InChIKey of 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-3-hydroxy-N-naphthalen-1-ylpropanamide?

The InChIKey is PAQMKTSQYBYEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-2-30-25(20-14-18-9-3-4-10-19(18)15-20)28-29-26(30)23(31)16-24(32)27-22-13-7-11-17-8-5-6-12-21(17)22/h3-13,20,23,31H,2,14-16H2,1H3,(H,27,32).

What are the key properties of 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-3-hydroxy-N-naphthalen-1-ylpropanamide?

3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-3-hydroxy-N-naphthalen-1-ylpropanamide has a molecular weight of 426.52 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-3-hydroxy-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 121345869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).