2-[3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propoxy]ethanol

C10H17N9O2 — CID 106311874

About 2-[3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propoxy]ethanol

2-[3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propoxy]ethanol (PubChem CID 106311874) has the molecular formula C10H17N9O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propoxy]ethanol.

Molecular Properties

• Compound Name: 2-[3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
• PubChem CID: 106311874
• Molecular Formula: C10H17N9O2
• Molecular Weight: 295.31 g/mol
• Exact Mass: 295.15
• IUPAC Name: 2-[3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
• SMILES: NNc1nc(NCCCOCCO)nc(-n2cncn2)n1
• InChI: InChI=1S/C10H17N9O2/c11-18-9-15-8(13-2-1-4-21-5-3-20)16-10(17-9)19-7-12-6-14-19/h6-7,20H,1-5,11H2,(H2,13,15,16,17,18)
• InChIKey: YVGSGYJIPOAFPG-UHFFFAOYSA-N
• XLogP: -1.45
• TPSA: 148.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	295.31
LogP ≤ 5	-1.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propoxy]ethanol?

The IUPAC name of 2-[3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propoxy]ethanol (CID 106311874) is 2-[3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propoxy]ethanol.

What is the SMILES notation for 2-[3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propoxy]ethanol?

The canonical SMILES for 2-[3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propoxy]ethanol is NNc1nc(NCCCOCCO)nc(-n2cncn2)n1.

What is the InChIKey of 2-[3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propoxy]ethanol?

The InChIKey is YVGSGYJIPOAFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N9O2/c11-18-9-15-8(13-2-1-4-21-5-3-20)16-10(17-9)19-7-12-6-14-19/h6-7,20H,1-5,11H2,(H2,13,15,16,17,18).

What are the key properties of 2-[3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propoxy]ethanol?

2-[3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propoxy]ethanol has a molecular weight of 295.31 g/mol, XLogP of -1.45, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propoxy]ethanol is sourced from PubChem (CID 106311874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).