10-(2-aminoethoxy)-1-(6-methyl-1,2,4,5-tetrazin-3-yl)decane-3,7-dione

C15H25N5O3 — CID 161498798

About 10-(2-aminoethoxy)-1-(6-methyl-1,2,4,5-tetrazin-3-yl)decane-3,7-dione

10-(2-aminoethoxy)-1-(6-methyl-1,2,4,5-tetrazin-3-yl)decane-3,7-dione (PubChem CID 161498798) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 10-(2-aminoethoxy)-1-(6-methyl-1,2,4,5-tetrazin-3-yl)decane-3,7-dione.

Molecular Properties

• Compound Name: 10-(2-aminoethoxy)-1-(6-methyl-1,2,4,5-tetrazin-3-yl)decane-3,7-dione
• PubChem CID: 161498798
• Molecular Formula: C15H25N5O3
• Molecular Weight: 323.40 g/mol
• Exact Mass: 323.20
• IUPAC Name: 10-(2-aminoethoxy)-1-(6-methyl-1,2,4,5-tetrazin-3-yl)decane-3,7-dione
• SMILES: Cc1nnc(CCC(=O)CCCC(=O)CCCOCCN)nn1
• InChI: InChI=1S/C15H25N5O3/c1-12-17-19-15(20-18-12)8-7-14(22)5-2-4-13(21)6-3-10-23-11-9-16/h2-11,16H2,1H3
• InChIKey: JGZCDQSCODGXCP-UHFFFAOYSA-N
• XLogP: 0.57
• TPSA: 120.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.40
LogP ≤ 5	0.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-(2-aminoethoxy)-1-(6-methyl-1,2,4,5-tetrazin-3-yl)decane-3,7-dione?

The IUPAC name of 10-(2-aminoethoxy)-1-(6-methyl-1,2,4,5-tetrazin-3-yl)decane-3,7-dione (CID 161498798) is 10-(2-aminoethoxy)-1-(6-methyl-1,2,4,5-tetrazin-3-yl)decane-3,7-dione.

What is the SMILES notation for 10-(2-aminoethoxy)-1-(6-methyl-1,2,4,5-tetrazin-3-yl)decane-3,7-dione?

The canonical SMILES for 10-(2-aminoethoxy)-1-(6-methyl-1,2,4,5-tetrazin-3-yl)decane-3,7-dione is Cc1nnc(CCC(=O)CCCC(=O)CCCOCCN)nn1.

What is the InChIKey of 10-(2-aminoethoxy)-1-(6-methyl-1,2,4,5-tetrazin-3-yl)decane-3,7-dione?

The InChIKey is JGZCDQSCODGXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-12-17-19-15(20-18-12)8-7-14(22)5-2-4-13(21)6-3-10-23-11-9-16/h2-11,16H2,1H3.

What are the key properties of 10-(2-aminoethoxy)-1-(6-methyl-1,2,4,5-tetrazin-3-yl)decane-3,7-dione?

10-(2-aminoethoxy)-1-(6-methyl-1,2,4,5-tetrazin-3-yl)decane-3,7-dione has a molecular weight of 323.40 g/mol, XLogP of 0.57, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(2-aminoethoxy)-1-(6-methyl-1,2,4,5-tetrazin-3-yl)decane-3,7-dione is sourced from PubChem (CID 161498798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).