8-hydrazinyl-7-(2-methoxyethyl)-1,3-dimethyl-5H-purin-7-ium-2,6-dione

C10H17N6O3+ — CID 74309265

IUPAC8-hydrazinyl-7-(2-methoxyethyl)-1,3-dimethyl-5H-purin-7-ium-2,6-dione
SMILESCOCC[N+]1=C(NN)N=C2C1C(=O)N(C)C(=O)N2C
InChIInChI=1S/C10H16N6O3/c1-14-7-6(8(17)15(2)10(14)18)16(4-5-19-3)9(12-7)13-11/h6H,4-5,11H2,1-3H3/p+1
InChIKeyIKDBXYWDJFMQNI-UHFFFAOYSA-O
MW269.28 g/mol
LogP-2.23
Rot. Bonds3

About 8-hydrazinyl-7-(2-methoxyethyl)-1,3-dimethyl-5H-purin-7-ium-2,6-dione

8-hydrazinyl-7-(2-methoxyethyl)-1,3-dimethyl-5H-purin-7-ium-2,6-dione (PubChem CID 74309265) has the molecular formula C10H17N6O3+ and a molecular weight of 269.28 g/mol. Its IUPAC name is 8-hydrazinyl-7-(2-methoxyethyl)-1,3-dimethyl-5H-purin-7-ium-2,6-dione.

Molecular Properties

Compound Name8-hydrazinyl-7-(2-methoxyethyl)-1,3-dimethyl-5H-purin-7-ium-2,6-dione
PubChem CID74309265
Molecular FormulaC10H17N6O3+
Molecular Weight269.28 g/mol
Exact Mass269.14
IUPAC Name8-hydrazinyl-7-(2-methoxyethyl)-1,3-dimethyl-5H-purin-7-ium-2,6-dione
SMILESCOCC[N+]1=C(NN)N=C2C1C(=O)N(C)C(=O)N2C
InChIInChI=1S/C10H16N6O3/c1-14-7-6(8(17)15(2)10(14)18)16(4-5-19-3)9(12-7)13-11/h6H,4-5,11H2,1-3H3/p+1
InChIKeyIKDBXYWDJFMQNI-UHFFFAOYSA-O
XLogP-2.23
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-2.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dimethyl-2,6-dioxo-5H-purin-7-ium-7-yl)acetohydrazide
CID 71651412
3,9-dimethyl-7-(2-morpholin-4-ylethyl)-4,5a-dihydro-1H-purino[8,7-c][1,2,4]triazin-5-ium-6,8-dione
CID 73328027
7-(2-methoxyethyl)-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-5H-purin-7-ium-2,6-dione
CID 74562626
7-(2-methoxyethyl)-1,3-dimethyl-8-(4-methylpiperazin-1-ium-1-ylidene)-5H-purine-2,6-dione
CID 74690526
1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-propyl-5H-purin-7-ium-2,6-dione
CID 74770872
2,6-bis(2-methoxyethyl)-4-methyl-8,9a-dihydro-7H-purino[7,8-a]imidazol-6-ium-1,3-dione
CID 74776513
2-(3,7-dimethyl-2,6-dioxo-5H-purin-7-ium-1-yl)acetohydrazide
CID 75098502
8-[(4-ethylpiperazin-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-5H-purin-7-ium-2,6-dione
CID 75688348
8-hydrazinyl-1,3,7-trimethyl-5H-purin-7-ium-2,6-dione
CID 76197082
8-amino-7-(2-methoxyethyl)-1,3-dimethyl-5H-purin-7-ium-2,6-dione
CID 77115370
8-hydrazinyl-1,3-dimethyl-7-propyl-5H-purin-7-ium-2,6-dione
CID 78207544
7-ethyl-1,3-dimethyl-8-(morpholin-4-ylmethyl)-5H-purin-7-ium-2,6-dione
CID 78208140

Frequently Asked Questions

What is the IUPAC name of 8-hydrazinyl-7-(2-methoxyethyl)-1,3-dimethyl-5H-purin-7-ium-2,6-dione?
The IUPAC name of 8-hydrazinyl-7-(2-methoxyethyl)-1,3-dimethyl-5H-purin-7-ium-2,6-dione (CID 74309265) is 8-hydrazinyl-7-(2-methoxyethyl)-1,3-dimethyl-5H-purin-7-ium-2,6-dione.
What is the SMILES notation for 8-hydrazinyl-7-(2-methoxyethyl)-1,3-dimethyl-5H-purin-7-ium-2,6-dione?
The canonical SMILES for 8-hydrazinyl-7-(2-methoxyethyl)-1,3-dimethyl-5H-purin-7-ium-2,6-dione is COCC[N+]1=C(NN)N=C2C1C(=O)N(C)C(=O)N2C.
What is the InChIKey of 8-hydrazinyl-7-(2-methoxyethyl)-1,3-dimethyl-5H-purin-7-ium-2,6-dione?
The InChIKey is IKDBXYWDJFMQNI-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H16N6O3/c1-14-7-6(8(17)15(2)10(14)18)16(4-5-19-3)9(12-7)13-11/h6H,4-5,11H2,1-3H3/p+1.
What are the key properties of 8-hydrazinyl-7-(2-methoxyethyl)-1,3-dimethyl-5H-purin-7-ium-2,6-dione?
8-hydrazinyl-7-(2-methoxyethyl)-1,3-dimethyl-5H-purin-7-ium-2,6-dione has a molecular weight of 269.28 g/mol, XLogP of -2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydrazinyl-7-(2-methoxyethyl)-1,3-dimethyl-5H-purin-7-ium-2,6-dione is sourced from PubChem (CID 74309265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).