7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione

C9H16N6O4 — CID 78304218

IUPAC7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione
SMILESCN1C(=O)NC(=O)C2C1N=C(NN)N2CC(O)CO
InChIInChI=1S/C9H16N6O4/c1-14-6-5(7(18)12-9(14)19)15(2-4(17)3-16)8(11-6)13-10/h4-6,16-17H,2-3,10H2,1H3,(H,11,13)(H,12,18,19)
InChIKeyRFZLPQFXJLFFJG-UHFFFAOYSA-N
MW272.27 g/mol
LogP-3.65
Rot. Bonds3

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

7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione (PubChem CID 78304218) has the molecular formula C9H16N6O4 and a molecular weight of 272.27 g/mol. Its IUPAC name is 7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione
PubChem CID78304218
Molecular FormulaC9H16N6O4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC Name7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione
SMILESCN1C(=O)NC(=O)C2C1N=C(NN)N2CC(O)CO
InChIInChI=1S/C9H16N6O4/c1-14-6-5(7(18)12-9(14)19)15(2-4(17)3-16)8(11-6)13-10/h4-6,16-17H,2-3,10H2,1H3,(H,11,13)(H,12,18,19)
InChIKeyRFZLPQFXJLFFJG-UHFFFAOYSA-N
XLogP-3.65
TPSA143.52 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 5-3.65
H-Bond Donors ≤ 55
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 7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione (CID 78304218) is 7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione is CN1C(=O)NC(=O)C2C1N=C(NN)N2CC(O)CO.
What is the InChIKey of 7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione?
The InChIKey is RFZLPQFXJLFFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O4/c1-14-6-5(7(18)12-9(14)19)15(2-4(17)3-16)8(11-6)13-10/h4-6,16-17H,2-3,10H2,1H3,(H,11,13)(H,12,18,19).
What are the key properties of 7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione?
7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione has a molecular weight of 272.27 g/mol, XLogP of -3.65, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 78304218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).