7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methylpurine-2,6-dione

C9H14N6O4 — CID 3144865

IUPAC7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methylpurine-2,6-dione
SMILESCn1c(=O)[nH]c(=O)c2c1nc(NN)n2CC(O)CO
InChIInChI=1S/C9H14N6O4/c1-14-6-5(7(18)12-9(14)19)15(2-4(17)3-16)8(11-6)13-10/h4,16-17H,2-3,10H2,1H3,(H,11,13)(H,12,18,19)
InChIKeyIIFKJMCZIUMZEM-UHFFFAOYSA-N
MW270.25 g/mol
LogP-2.94
Rot. Bonds4

About 7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methylpurine-2,6-dione

7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methylpurine-2,6-dione (PubChem CID 3144865) has the molecular formula C9H14N6O4 and a molecular weight of 270.25 g/mol. Its IUPAC name is 7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methylpurine-2,6-dione.

Molecular Properties

Compound Name7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methylpurine-2,6-dione
PubChem CID3144865
Molecular FormulaC9H14N6O4
Molecular Weight270.25 g/mol
Exact Mass270.11
IUPAC Name7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methylpurine-2,6-dione
SMILESCn1c(=O)[nH]c(=O)c2c1nc(NN)n2CC(O)CO
InChIInChI=1S/C9H14N6O4/c1-14-6-5(7(18)12-9(14)19)15(2-4(17)3-16)8(11-6)13-10/h4,16-17H,2-3,10H2,1H3,(H,11,13)(H,12,18,19)
InChIKeyIIFKJMCZIUMZEM-UHFFFAOYSA-N
XLogP-2.94
TPSA151.19 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-2.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

7-[(2R)-2,3-dihydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione
CID 706629
8-anilino-7-[(2R)-2,3-dihydroxypropyl]-3-methylpurine-2,6-dione
CID 99806691
8-bromo-7-(2,3-dihydroxypropyl)-3-methylpurine-2,6-dione
CID 3120017
7-(2,3-dihydroxypropyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
CID 3144866
8-hydrazinyl-7-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione
CID 7007070
7-[(2R)-2,3-dihydroxypropyl]-8-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-methylpurine-2,6-dione
CID 136800765
7-[(2S)-2,3-dihydroxypropyl]-8-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione
CID 7367860
8-hydrazinyl-3-methyl-7-prop-2-enylpurine-2,6-dione
CID 823143
8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
CID 3123512
7-[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-8-hydrazinyl-3-methylpurine-2,6-dione
CID 7214291
7-(3-chlorobut-2-enyl)-8-hydrazinyl-3-methylpurine-2,6-dione
CID 819226
7-[(2S)-2,3-dihydroxypropyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione
CID 40692587

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methylpurine-2,6-dione?
The IUPAC name of 7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methylpurine-2,6-dione (CID 3144865) is 7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methylpurine-2,6-dione.
What is the SMILES notation for 7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methylpurine-2,6-dione?
The canonical SMILES for 7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methylpurine-2,6-dione is Cn1c(=O)[nH]c(=O)c2c1nc(NN)n2CC(O)CO.
What is the InChIKey of 7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methylpurine-2,6-dione?
The InChIKey is IIFKJMCZIUMZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O4/c1-14-6-5(7(18)12-9(14)19)15(2-4(17)3-16)8(11-6)13-10/h4,16-17H,2-3,10H2,1H3,(H,11,13)(H,12,18,19).
What are the key properties of 7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methylpurine-2,6-dione?
7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methylpurine-2,6-dione has a molecular weight of 270.25 g/mol, XLogP of -2.94, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methylpurine-2,6-dione is sourced from PubChem (CID 3144865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).