ethane;2-ethyl-N-[5-[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pentyl]butanamide;molecular hydrogen

C26H43N5O3 — CID 142406287

About ethane;2-ethyl-N-[5-[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pentyl]butanamide;molecular hydrogen

ethane;2-ethyl-N-[5-[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pentyl]butanamide;molecular hydrogen (PubChem CID 142406287) has the molecular formula C26H43N5O3 and a molecular weight of 473.66 g/mol. Its IUPAC name is ethane;2-ethyl-N-[5-[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pentyl]butanamide;molecular hydrogen.

Molecular Properties

• Compound Name: ethane;2-ethyl-N-[5-[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pentyl]butanamide;molecular hydrogen
• PubChem CID: 142406287
• Molecular Formula: C26H43N5O3
• Molecular Weight: 473.66 g/mol
• Exact Mass: 473.34
• IUPAC Name: ethane;2-ethyl-N-[5-[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pentyl]butanamide;molecular hydrogen
• SMILES: CC.CCC(CC)C(=O)NCCCCCc1nc2cc(OCCOC)ccc2n2c(C)nnc12.[H][H]
• InChI: InChI=1S/C24H35N5O3.C2H6.H2/c1-5-18(6-2)24(30)25-13-9-7-8-10-20-23-28-27-17(3)29(23)22-12-11-19(16-21(22)26-20)32-15-14-31-4;1-2;/h11-12,16,18H,5-10,13-15H2,1-4H3,(H,25,30);1-2H3;1H
• InChIKey: UPIGODZXPMLQKC-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 90.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.66
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-N-[5-[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pentyl]butanamide;molecular hydrogen?

The IUPAC name of ethane;2-ethyl-N-[5-[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pentyl]butanamide;molecular hydrogen (CID 142406287) is ethane;2-ethyl-N-[5-[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pentyl]butanamide;molecular hydrogen.

What is the SMILES notation for ethane;2-ethyl-N-[5-[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pentyl]butanamide;molecular hydrogen?

The canonical SMILES for ethane;2-ethyl-N-[5-[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pentyl]butanamide;molecular hydrogen is CC.CCC(CC)C(=O)NCCCCCc1nc2cc(OCCOC)ccc2n2c(C)nnc12.[H][H].

What is the InChIKey of ethane;2-ethyl-N-[5-[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pentyl]butanamide;molecular hydrogen?

The InChIKey is UPIGODZXPMLQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3.C2H6.H2/c1-5-18(6-2)24(30)25-13-9-7-8-10-20-23-28-27-17(3)29(23)22-12-11-19(16-21(22)26-20)32-15-14-31-4;1-2;/h11-12,16,18H,5-10,13-15H2,1-4H3,(H,25,30);1-2H3;1H.

What are the key properties of ethane;2-ethyl-N-[5-[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pentyl]butanamide;molecular hydrogen?

ethane;2-ethyl-N-[5-[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pentyl]butanamide;molecular hydrogen has a molecular weight of 473.66 g/mol, XLogP of 5.15, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-ethyl-N-[5-[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pentyl]butanamide;molecular hydrogen is sourced from PubChem (CID 142406287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).