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

C9H14N6O3 — CID 3123512

IUPAC8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
SMILESCOCCn1c(NN)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C9H14N6O3/c1-14-6-5(7(16)12-9(14)17)15(3-4-18-2)8(11-6)13-10/h3-4,10H2,1-2H3,(H,11,13)(H,12,16,17)
InChIKeyNYBZATNWTLVHLF-UHFFFAOYSA-N
MW254.25 g/mol
LogP-1.64
Rot. Bonds4

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

8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione (PubChem CID 3123512) has the molecular formula C9H14N6O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione.

Molecular Properties

Compound Name8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
PubChem CID3123512
Molecular FormulaC9H14N6O3
Molecular Weight254.25 g/mol
Exact Mass254.11
IUPAC Name8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
SMILESCOCCn1c(NN)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C9H14N6O3/c1-14-6-5(7(16)12-9(14)17)15(3-4-18-2)8(11-6)13-10/h3-4,10H2,1-2H3,(H,11,13)(H,12,16,17)
InChIKeyNYBZATNWTLVHLF-UHFFFAOYSA-N
XLogP-1.64
TPSA119.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
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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Related Compounds

7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione
CID 652075
8-hydrazinyl-3-methyl-7-prop-2-enylpurine-2,6-dione
CID 823143
7-(3-chlorobut-2-enyl)-8-hydrazinyl-3-methylpurine-2,6-dione
CID 819226
7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methylpurine-2,6-dione
CID 3144865
8-(2-methoxyethylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione
CID 5235990
8-(3-methoxypropylamino)-3-methyl-7-pentylpurine-2,6-dione
CID 7025678
8-[2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
CID 3123520
7-(2-methoxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
CID 2988615
7-ethyl-8-(ethylamino)-3-(2-methoxyethyl)purine-2,6-dione
CID 82465455
8-(3,5-dimethylpiperidin-1-yl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
CID 3157419
ethyl 2-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
CID 3123499
8-(3-hydroxypropylamino)-3-(2-methoxyethyl)-7-methylpurine-2,6-dione
CID 82464244

Frequently Asked Questions

What is the IUPAC name of 8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione?
The IUPAC name of 8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione (CID 3123512) is 8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione.
What is the SMILES notation for 8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione?
The canonical SMILES for 8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione is COCCn1c(NN)nc2c1c(=O)[nH]c(=O)n2C.
What is the InChIKey of 8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione?
The InChIKey is NYBZATNWTLVHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O3/c1-14-6-5(7(16)12-9(14)17)15(3-4-18-2)8(11-6)13-10/h3-4,10H2,1-2H3,(H,11,13)(H,12,16,17).
What are the key properties of 8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione?
8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione has a molecular weight of 254.25 g/mol, XLogP of -1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione is sourced from PubChem (CID 3123512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).