2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)acetohydrazide

C11H15N7O3 — CID 73259043

IUPAC2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)acetohydrazide
SMILESCC1=CN2C(=NC3C2C(=O)NC(=O)N3C)N1CC(=O)NN
InChIInChI=1S/C11H15N7O3/c1-5-3-18-7-8(16(2)11(21)14-9(7)20)13-10(18)17(5)4-6(19)15-12/h3,7-8H,4,12H2,1-2H3,(H,15,19)(H,14,20,21)
InChIKeyLYCWQPCJEGNQIV-UHFFFAOYSA-N
MW293.29 g/mol
LogP-2.30
Rot. Bonds2

About 2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)acetohydrazide

2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)acetohydrazide (PubChem CID 73259043) has the molecular formula C11H15N7O3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)acetohydrazide
PubChem CID73259043
Molecular FormulaC11H15N7O3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC Name2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)acetohydrazide
SMILESCC1=CN2C(=NC3C2C(=O)NC(=O)N3C)N1CC(=O)NN
InChIInChI=1S/C11H15N7O3/c1-5-3-18-7-8(16(2)11(21)14-9(7)20)13-10(18)17(5)4-6(19)15-12/h3,7-8H,4,12H2,1-2H3,(H,15,19)(H,14,20,21)
InChIKeyLYCWQPCJEGNQIV-UHFFFAOYSA-N
XLogP-2.30
TPSA123.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 5-2.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4,6,7-Trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73165284
4,7-Dimethyl-6-(2-methylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73256962
2-(4,7,8-Trimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)acetohydrazide
CID 73258877
4,7-Dimethyl-6-[2-(4-methylpiperazin-1-yl)ethyl]-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73259411
4,7-Dimethyl-6-(2-pyrrolidin-1-ylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73283817
6-[2-(Butylamino)ethyl]-4,7-dimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73284103
6-[2-(4-Ethylpiperazin-1-yl)ethyl]-4,7-dimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73328897
6-Hexyl-4,7-dimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73330093
6-[2-(Dimethylamino)ethyl]-4,7-dimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 74441810
6-Butan-2-yl-4,7-dimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 74483301
6-[3-(Dimethylamino)propyl]-4,7-dimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 74710167
8-Hydrazinyl-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione
CID 78207353

Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)acetohydrazide?
The IUPAC name of 2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)acetohydrazide (CID 73259043) is 2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)acetohydrazide.
What is the SMILES notation for 2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)acetohydrazide?
The canonical SMILES for 2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)acetohydrazide is CC1=CN2C(=NC3C2C(=O)NC(=O)N3C)N1CC(=O)NN.
What is the InChIKey of 2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)acetohydrazide?
The InChIKey is LYCWQPCJEGNQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O3/c1-5-3-18-7-8(16(2)11(21)14-9(7)20)13-10(18)17(5)4-6(19)15-12/h3,7-8H,4,12H2,1-2H3,(H,15,19)(H,14,20,21).
What are the key properties of 2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)acetohydrazide?
2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)acetohydrazide has a molecular weight of 293.29 g/mol, XLogP of -2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)acetohydrazide is sourced from PubChem (CID 73259043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).