3-[[4-(2-hydroxyethylamino)-6-[(2-hydroxyethylamino)methyl]-1,3,5-triazin-2-yl]amino]propan-1-ol

C11H22N6O3 — CID 130250712

About 3-[[4-(2-hydroxyethylamino)-6-[(2-hydroxyethylamino)methyl]-1,3,5-triazin-2-yl]amino]propan-1-ol

3-[[4-(2-hydroxyethylamino)-6-[(2-hydroxyethylamino)methyl]-1,3,5-triazin-2-yl]amino]propan-1-ol (PubChem CID 130250712) has the molecular formula C11H22N6O3 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-[[4-(2-hydroxyethylamino)-6-[(2-hydroxyethylamino)methyl]-1,3,5-triazin-2-yl]amino]propan-1-ol.

Molecular Properties

• Compound Name: 3-[[4-(2-hydroxyethylamino)-6-[(2-hydroxyethylamino)methyl]-1,3,5-triazin-2-yl]amino]propan-1-ol
• PubChem CID: 130250712
• Molecular Formula: C11H22N6O3
• Molecular Weight: 286.34 g/mol
• Exact Mass: 286.18
• IUPAC Name: 3-[[4-(2-hydroxyethylamino)-6-[(2-hydroxyethylamino)methyl]-1,3,5-triazin-2-yl]amino]propan-1-ol
• SMILES: OCCCNc1nc(CNCCO)nc(NCCO)n1
• InChI: InChI=1S/C11H22N6O3/c18-5-1-2-13-10-15-9(8-12-3-6-19)16-11(17-10)14-4-7-20/h12,18-20H,1-8H2,(H2,13,14,15,16,17)
• InChIKey: MLZRVBUOBOAAKM-UHFFFAOYSA-N
• XLogP: -1.85
• TPSA: 135.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	286.34
LogP ≤ 5	-1.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-hydroxyethylamino)-6-[(2-hydroxyethylamino)methyl]-1,3,5-triazin-2-yl]amino]propan-1-ol?

The IUPAC name of 3-[[4-(2-hydroxyethylamino)-6-[(2-hydroxyethylamino)methyl]-1,3,5-triazin-2-yl]amino]propan-1-ol (CID 130250712) is 3-[[4-(2-hydroxyethylamino)-6-[(2-hydroxyethylamino)methyl]-1,3,5-triazin-2-yl]amino]propan-1-ol.

What is the SMILES notation for 3-[[4-(2-hydroxyethylamino)-6-[(2-hydroxyethylamino)methyl]-1,3,5-triazin-2-yl]amino]propan-1-ol?

The canonical SMILES for 3-[[4-(2-hydroxyethylamino)-6-[(2-hydroxyethylamino)methyl]-1,3,5-triazin-2-yl]amino]propan-1-ol is OCCCNc1nc(CNCCO)nc(NCCO)n1.

What is the InChIKey of 3-[[4-(2-hydroxyethylamino)-6-[(2-hydroxyethylamino)methyl]-1,3,5-triazin-2-yl]amino]propan-1-ol?

The InChIKey is MLZRVBUOBOAAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O3/c18-5-1-2-13-10-15-9(8-12-3-6-19)16-11(17-10)14-4-7-20/h12,18-20H,1-8H2,(H2,13,14,15,16,17).

What are the key properties of 3-[[4-(2-hydroxyethylamino)-6-[(2-hydroxyethylamino)methyl]-1,3,5-triazin-2-yl]amino]propan-1-ol?

3-[[4-(2-hydroxyethylamino)-6-[(2-hydroxyethylamino)methyl]-1,3,5-triazin-2-yl]amino]propan-1-ol has a molecular weight of 286.34 g/mol, XLogP of -1.85, 11 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-(2-hydroxyethylamino)-6-[(2-hydroxyethylamino)methyl]-1,3,5-triazin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 130250712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).