2-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol

C11H21N7O3 — CID 107855156

About 2-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol

2-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 107855156) has the molecular formula C11H21N7O3 and a molecular weight of 299.34 g/mol. Its IUPAC name is 2-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

• Compound Name: 2-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
• PubChem CID: 107855156
• Molecular Formula: C11H21N7O3
• Molecular Weight: 299.34 g/mol
• Exact Mass: 299.17
• IUPAC Name: 2-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
• SMILES: NNc1nc(NC(CO)(CO)CO)nc(N2CCCC2)n1
• InChI: InChI=1S/C11H21N7O3/c12-17-9-13-8(16-11(5-19,6-20)7-21)14-10(15-9)18-3-1-2-4-18/h19-21H,1-7,12H2,(H2,13,14,15,16,17)
• InChIKey: NQQIDLOGYQDGML-UHFFFAOYSA-N
• XLogP: -2.12
• TPSA: 152.68 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	299.34
LogP ≤ 5	-2.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

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 2-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?

The IUPAC name of 2-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol (CID 107855156) is 2-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol.

What is the SMILES notation for 2-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?

The canonical SMILES for 2-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol is NNc1nc(NC(CO)(CO)CO)nc(N2CCCC2)n1.

What is the InChIKey of 2-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?

The InChIKey is NQQIDLOGYQDGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N7O3/c12-17-9-13-8(16-11(5-19,6-20)7-21)14-10(15-9)18-3-1-2-4-18/h19-21H,1-7,12H2,(H2,13,14,15,16,17).

What are the key properties of 2-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?

2-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 299.34 g/mol, XLogP of -2.12, 7 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 107855156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).