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

C10H15N6O2+ — CID 78172495

IUPAC8-hydrazinyl-1,3-dimethyl-7-prop-2-enyl-5H-purin-7-ium-2,6-dione
SMILESC=CC[N+]1=C(NN)N=C2C1C(=O)N(C)C(=O)N2C
InChIInChI=1S/C10H14N6O2/c1-4-5-16-6-7(12-9(16)13-11)14(2)10(18)15(3)8(6)17/h4,6H,1,5,11H2,2-3H3/p+1
InChIKeyBQKOKKRPJYCKAF-UHFFFAOYSA-O
MW251.27 g/mol
LogP-1.69
Rot. Bonds2

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

8-hydrazinyl-1,3-dimethyl-7-prop-2-enyl-5H-purin-7-ium-2,6-dione (PubChem CID 78172495) has the molecular formula C10H15N6O2+ and a molecular weight of 251.27 g/mol. Its IUPAC name is 8-hydrazinyl-1,3-dimethyl-7-prop-2-enyl-5H-purin-7-ium-2,6-dione.

Molecular Properties

Compound Name8-hydrazinyl-1,3-dimethyl-7-prop-2-enyl-5H-purin-7-ium-2,6-dione
PubChem CID78172495
Molecular FormulaC10H15N6O2+
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Name8-hydrazinyl-1,3-dimethyl-7-prop-2-enyl-5H-purin-7-ium-2,6-dione
SMILESC=CC[N+]1=C(NN)N=C2C1C(=O)N(C)C(=O)N2C
InChIInChI=1S/C10H14N6O2/c1-4-5-16-6-7(12-9(16)13-11)14(2)10(18)15(3)8(6)17/h4,6H,1,5,11H2,2-3H3/p+1
InChIKeyBQKOKKRPJYCKAF-UHFFFAOYSA-O
XLogP-1.69
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-hydrazinyl-1,3-dimethyl-7-prop-2-enyl-5H-purin-7-ium-2,6-dione with MolForge

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Related Compounds

2-(1,3-dimethyl-2,6-dioxo-5H-purin-7-ium-7-yl)acetohydrazide
CID 71651412
8-ethynyl-1,3-dimethyl-7-prop-2-enyl-5H-purin-7-ium-2,6-dione
CID 73198848
2-(3,7-dimethyl-2,6-dioxo-5H-purin-7-ium-1-yl)acetohydrazide
CID 75098502
2-(3,8-dimethyl-2,6-dioxo-7-prop-2-enyl-5H-purin-7-ium-1-yl)acetonitrile
CID 75609030
8-hydrazinyl-1,3,7-trimethyl-5H-purin-7-ium-2,6-dione
CID 76197082
3,7-dimethyl-1-prop-2-enyl-5H-purin-7-ium-2,6-dione
CID 77114682
1,3-dimethyl-7-prop-2-enyl-5H-purin-7-ium-2,6-dione
CID 77114688
2,4-dimethyl-6-prop-2-enyl-8,9a-dihydro-7H-purino[7,8-a]imidazol-6-ium-1,3-dione
CID 78172369
8-(butan-2-ylamino)-1,3-dimethyl-7-prop-2-enyl-5H-purin-7-ium-2,6-dione
CID 78204419
2-(8-bromo-3-methyl-2,6-dioxo-7-prop-2-enyl-5H-purin-7-ium-1-yl)acetamide
CID 78204633
1,3-dimethyl-7-prop-2-enyl-8-sulfanylidene-5H-purine-2,6-dione
CID 78204857
8-chloro-1,3-dimethyl-7-prop-2-enyl-5H-purin-7-ium-2,6-dione
CID 78205854

Frequently Asked Questions

What is the IUPAC name of 8-hydrazinyl-1,3-dimethyl-7-prop-2-enyl-5H-purin-7-ium-2,6-dione?
The IUPAC name of 8-hydrazinyl-1,3-dimethyl-7-prop-2-enyl-5H-purin-7-ium-2,6-dione (CID 78172495) is 8-hydrazinyl-1,3-dimethyl-7-prop-2-enyl-5H-purin-7-ium-2,6-dione.
What is the SMILES notation for 8-hydrazinyl-1,3-dimethyl-7-prop-2-enyl-5H-purin-7-ium-2,6-dione?
The canonical SMILES for 8-hydrazinyl-1,3-dimethyl-7-prop-2-enyl-5H-purin-7-ium-2,6-dione is C=CC[N+]1=C(NN)N=C2C1C(=O)N(C)C(=O)N2C.
What is the InChIKey of 8-hydrazinyl-1,3-dimethyl-7-prop-2-enyl-5H-purin-7-ium-2,6-dione?
The InChIKey is BQKOKKRPJYCKAF-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14N6O2/c1-4-5-16-6-7(12-9(16)13-11)14(2)10(18)15(3)8(6)17/h4,6H,1,5,11H2,2-3H3/p+1.
What are the key properties of 8-hydrazinyl-1,3-dimethyl-7-prop-2-enyl-5H-purin-7-ium-2,6-dione?
8-hydrazinyl-1,3-dimethyl-7-prop-2-enyl-5H-purin-7-ium-2,6-dione has a molecular weight of 251.27 g/mol, XLogP of -1.69, 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-prop-2-enyl-5H-purin-7-ium-2,6-dione is sourced from PubChem (CID 78172495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).