8-hydrazinyl-1,3-dimethyl-7-propyl-5H-purin-7-ium-2,6-dione

C10H17N6O2+ — CID 78207544

IUPAC8-hydrazinyl-1,3-dimethyl-7-propyl-5H-purin-7-ium-2,6-dione
SMILESCCC[N+]1=C(NN)N=C2C1C(=O)N(C)C(=O)N2C
InChIInChI=1S/C10H16N6O2/c1-4-5-16-6-7(12-9(16)13-11)14(2)10(18)15(3)8(6)17/h6H,4-5,11H2,1-3H3/p+1
InChIKeyGTVJUNYXBKYUEI-UHFFFAOYSA-O
MW253.29 g/mol
LogP-1.47
Rot. Bonds2

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

8-hydrazinyl-1,3-dimethyl-7-propyl-5H-purin-7-ium-2,6-dione (PubChem CID 78207544) has the molecular formula C10H17N6O2+ and a molecular weight of 253.29 g/mol. Its IUPAC name is 8-hydrazinyl-1,3-dimethyl-7-propyl-5H-purin-7-ium-2,6-dione.

Molecular Properties

Compound Name8-hydrazinyl-1,3-dimethyl-7-propyl-5H-purin-7-ium-2,6-dione
PubChem CID78207544
Molecular FormulaC10H17N6O2+
Molecular Weight253.29 g/mol
Exact Mass253.14
IUPAC Name8-hydrazinyl-1,3-dimethyl-7-propyl-5H-purin-7-ium-2,6-dione
SMILESCCC[N+]1=C(NN)N=C2C1C(=O)N(C)C(=O)N2C
InChIInChI=1S/C10H16N6O2/c1-4-5-16-6-7(12-9(16)13-11)14(2)10(18)15(3)8(6)17/h6H,4-5,11H2,1-3H3/p+1
InChIKeyGTVJUNYXBKYUEI-UHFFFAOYSA-O
XLogP-1.47
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(2S)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)-5H-purin-7-ium-7-yl]propanamide
CID 139269336
(2S)-2-[3-methyl-1-[2-(methylamino)-2-oxoethyl]-2,6-dioxo-5H-purin-7-ium-7-yl]propanamide
CID 139269379
(2S)-2-(1-but-2-ynyl-3-methyl-2,6-dioxo-5H-purin-7-ium-7-yl)propanamide
CID 139269453
7-Tert-butyl-3,9-dimethyl-1,4,5a,9a-tetrahydropurino[8,7-c][1,2,4]triazine-6,8-dione
CID 58244996
7-Ethyl-3,9-dimethyl-1,4,5a,9a-tetrahydropurino[8,7-c][1,2,4]triazine-6,8-dione
CID 68345617
3-butyl-8-ethyl-1-methyl-5,7-dihydro-4H-purine-2,6-dione
CID 132198786
Ethane;3,7,9-trimethyl-1,4,5a,9a-tetrahydropurino[8,7-c][1,2,4]triazine-6,8-dione
CID 143778550
Ethane;3,7,9-trimethyl-1,4,5a,9a-tetrahydropurino[8,7-c][1,2,4]triazine-6,8-dione
CID 143778578
8-(dimethylamino)-3-ethyl-1-propyl-5H-purine-2,6-dione
CID 163663150
7-amino-1,3-dimethyl-5H-purin-7-ium-2,6-dione
CID 71304003
1,3,7,8-tetramethyl-5H-purin-7-ium-2,6-dione
CID 71304102
1,3,7,9-tetramethyl-5H-purin-9-ium-2,6,8-trione
CID 71650852

Frequently Asked Questions

What is the IUPAC name of 8-hydrazinyl-1,3-dimethyl-7-propyl-5H-purin-7-ium-2,6-dione?
The IUPAC name of 8-hydrazinyl-1,3-dimethyl-7-propyl-5H-purin-7-ium-2,6-dione (CID 78207544) is 8-hydrazinyl-1,3-dimethyl-7-propyl-5H-purin-7-ium-2,6-dione.
What is the SMILES notation for 8-hydrazinyl-1,3-dimethyl-7-propyl-5H-purin-7-ium-2,6-dione?
The canonical SMILES for 8-hydrazinyl-1,3-dimethyl-7-propyl-5H-purin-7-ium-2,6-dione is CCC[N+]1=C(NN)N=C2C1C(=O)N(C)C(=O)N2C.
What is the InChIKey of 8-hydrazinyl-1,3-dimethyl-7-propyl-5H-purin-7-ium-2,6-dione?
The InChIKey is GTVJUNYXBKYUEI-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H16N6O2/c1-4-5-16-6-7(12-9(16)13-11)14(2)10(18)15(3)8(6)17/h6H,4-5,11H2,1-3H3/p+1.
What are the key properties of 8-hydrazinyl-1,3-dimethyl-7-propyl-5H-purin-7-ium-2,6-dione?
8-hydrazinyl-1,3-dimethyl-7-propyl-5H-purin-7-ium-2,6-dione has a molecular weight of 253.29 g/mol, XLogP of -1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydrazinyl-1,3-dimethyl-7-propyl-5H-purin-7-ium-2,6-dione is sourced from PubChem (CID 78207544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).