8-hydrazinyl-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-4,5-dihydropurine-2,6-dione

C12H22N6O4 — CID 78206632

IUPAC8-hydrazinyl-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-4,5-dihydropurine-2,6-dione
SMILESCC(C)OCC(O)CN1C(NN)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C12H22N6O4/c1-6(2)22-5-7(19)4-18-8-9(14-11(18)16-13)17(3)12(21)15-10(8)20/h6-9,19H,4-5,13H2,1-3H3,(H,14,16)(H,15,20,21)
InChIKeyXBKPJZLTUVUEPB-UHFFFAOYSA-N
MW314.35 g/mol
LogP-2.22
Rot. Bonds5

About 8-hydrazinyl-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-4,5-dihydropurine-2,6-dione

8-hydrazinyl-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-4,5-dihydropurine-2,6-dione (PubChem CID 78206632) has the molecular formula C12H22N6O4 and a molecular weight of 314.35 g/mol. Its IUPAC name is 8-hydrazinyl-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-hydrazinyl-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-4,5-dihydropurine-2,6-dione
PubChem CID78206632
Molecular FormulaC12H22N6O4
Molecular Weight314.35 g/mol
Exact Mass314.17
IUPAC Name8-hydrazinyl-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-4,5-dihydropurine-2,6-dione
SMILESCC(C)OCC(O)CN1C(NN)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C12H22N6O4/c1-6(2)22-5-7(19)4-18-8-9(14-11(18)16-13)17(3)12(21)15-10(8)20/h6-9,19H,4-5,13H2,1-3H3,(H,14,16)(H,15,20,21)
InChIKeyXBKPJZLTUVUEPB-UHFFFAOYSA-N
XLogP-2.22
TPSA132.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 5-2.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-hydrazinyl-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 8-hydrazinyl-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-4,5-dihydropurine-2,6-dione (CID 78206632) is 8-hydrazinyl-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 8-hydrazinyl-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 8-hydrazinyl-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-4,5-dihydropurine-2,6-dione is CC(C)OCC(O)CN1C(NN)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 8-hydrazinyl-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-4,5-dihydropurine-2,6-dione?
The InChIKey is XBKPJZLTUVUEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O4/c1-6(2)22-5-7(19)4-18-8-9(14-11(18)16-13)17(3)12(21)15-10(8)20/h6-9,19H,4-5,13H2,1-3H3,(H,14,16)(H,15,20,21).
What are the key properties of 8-hydrazinyl-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-4,5-dihydropurine-2,6-dione?
8-hydrazinyl-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-4,5-dihydropurine-2,6-dione has a molecular weight of 314.35 g/mol, XLogP of -2.22, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydrazinyl-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 78206632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).