1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol

C₁₂H₂₂N₆O₂ — CID 102971915

About 1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol

1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol (PubChem CID 102971915) has the molecular formula C₁₂H₂₂N₆O₂ and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol.

Molecular Properties

• Compound Name: 1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
• PubChem CID: 102971915
• Molecular Formula: C₁₂H₂₂N₆O₂
• Molecular Weight: 282.35 g/mol
• Exact Mass: 282.18
• IUPAC Name: 1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
• SMILES: CCCOc1nc(NN)nc(N2CCC(C)C(O)C2)n1
• InChI: InChI=1S/C12H22N6O2/c1-3-6-20-12-15-10(17-13)14-11(16-12)18-5-4-8(2)9(19)7-18/h8-9,19H,3-7,13H2,1-2H3,(H,14,15,16,17)
• InChIKey: WLEUKISOHCBNDN-UHFFFAOYSA-N
• XLogP: 0.15
• TPSA: 109.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.35
LogP ≤ 5	0.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol?

The IUPAC name of 1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol (CID 102971915) is 1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol.

What is the SMILES notation for 1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol?

The canonical SMILES for 1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol is CCCOc1nc(NN)nc(N2CCC(C)C(O)C2)n1.

What is the InChIKey of 1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol?

The InChIKey is WLEUKISOHCBNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-3-6-20-12-15-10(17-13)14-11(16-12)18-5-4-8(2)9(19)7-18/h8-9,19H,3-7,13H2,1-2H3,(H,14,15,16,17).

What are the key properties of 1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol?

1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol has a molecular weight of 282.35 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 102971915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 102971915 — identifiers, structure, computed properties (public domain)

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