3-ethyl-8-hydrazinyl-7H-purine-2,6-dione

C7H10N6O2 — CID 82465284

IUPAC3-ethyl-8-hydrazinyl-7H-purine-2,6-dione
SMILESCCn1c(=O)[nH]c(=O)c2[nH]c(NN)nc21
InChIInChI=1S/C7H10N6O2/c1-2-13-4-3(5(14)11-7(13)15)9-6(10-4)12-8/h2,8H2,1H3,(H2,9,10,12)(H,11,14,15)
InChIKeyDBFVKFGQMYUWEX-UHFFFAOYSA-N
MW210.20 g/mol
LogP-1.28
Rot. Bonds2

About 3-ethyl-8-hydrazinyl-7H-purine-2,6-dione

3-ethyl-8-hydrazinyl-7H-purine-2,6-dione (PubChem CID 82465284) has the molecular formula C7H10N6O2 and a molecular weight of 210.20 g/mol. Its IUPAC name is 3-ethyl-8-hydrazinyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-8-hydrazinyl-7H-purine-2,6-dione
PubChem CID82465284
Molecular FormulaC7H10N6O2
Molecular Weight210.20 g/mol
Exact Mass210.09
IUPAC Name3-ethyl-8-hydrazinyl-7H-purine-2,6-dione
SMILESCCn1c(=O)[nH]c(=O)c2[nH]c(NN)nc21
InChIInChI=1S/C7H10N6O2/c1-2-13-4-3(5(14)11-7(13)15)9-6(10-4)12-8/h2,8H2,1H3,(H2,9,10,12)(H,11,14,15)
InChIKeyDBFVKFGQMYUWEX-UHFFFAOYSA-N
XLogP-1.28
TPSA121.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

3-ethyl-8-(2-methylbutan-2-yl)-7H-purine-2,6-dione
CID 112568931
3-ethyl-8-(2-hydroxypropan-2-yl)-7H-purine-2,6-dione
CID 112568946
3-ethyl-8-(2-methoxyethyl)-7H-purine-2,6-dione
CID 112568930
8-(2-hydroxyethylamino)-3-propyl-7H-purine-2,6-dione
CID 82465307
3-ethyl-8-heptyl-7H-purine-2,6-dione
CID 115925569
8-(3-hydroxypropylamino)-3-propyl-7H-purine-2,6-dione
CID 82465308
3-ethyl-8-[hydroxy(phenyl)methyl]-7H-purine-2,6-dione
CID 115925596
3-ethyl-8-(4-ethylphenyl)-7H-purine-2,6-dione
CID 115600488
3-[(2,6-dioxo-3-propyl-7H-purin-8-yl)amino]propanoic acid
CID 82465310
3-ethyl-8-(1,2-oxazol-3-yl)-7H-purine-2,6-dione
CID 136926833
3-ethyl-8-(4-methylthiophen-3-yl)-7H-purine-2,6-dione
CID 112568950
8-(2-cyclohexylethyl)-3-ethyl-7H-purine-2,6-dione
CID 115925626

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-hydrazinyl-7H-purine-2,6-dione?
The IUPAC name of 3-ethyl-8-hydrazinyl-7H-purine-2,6-dione (CID 82465284) is 3-ethyl-8-hydrazinyl-7H-purine-2,6-dione.
What is the SMILES notation for 3-ethyl-8-hydrazinyl-7H-purine-2,6-dione?
The canonical SMILES for 3-ethyl-8-hydrazinyl-7H-purine-2,6-dione is CCn1c(=O)[nH]c(=O)c2[nH]c(NN)nc21.
What is the InChIKey of 3-ethyl-8-hydrazinyl-7H-purine-2,6-dione?
The InChIKey is DBFVKFGQMYUWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O2/c1-2-13-4-3(5(14)11-7(13)15)9-6(10-4)12-8/h2,8H2,1H3,(H2,9,10,12)(H,11,14,15).
What are the key properties of 3-ethyl-8-hydrazinyl-7H-purine-2,6-dione?
3-ethyl-8-hydrazinyl-7H-purine-2,6-dione has a molecular weight of 210.20 g/mol, XLogP of -1.28, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-hydrazinyl-7H-purine-2,6-dione is sourced from PubChem (CID 82465284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).