2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)acetohydrazide

C8H14N6O3 — CID 164889580

IUPAC2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)acetohydrazide
SMILESCN1C(=O)N(C)C2C1NC(=O)N2CC(=O)NN
InChIInChI=1S/C8H14N6O3/c1-12-5-6(13(2)8(12)17)14(7(16)10-5)3-4(15)11-9/h5-6H,3,9H2,1-2H3,(H,10,16)(H,11,15)
InChIKeyRCKOQJDZHCNAOR-UHFFFAOYSA-N
MW242.24 g/mol
LogP-2.35
Rot. Bonds2

About 2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)acetohydrazide

2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)acetohydrazide (PubChem CID 164889580) has the molecular formula C8H14N6O3 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)acetohydrazide
PubChem CID164889580
Molecular FormulaC8H14N6O3
Molecular Weight242.24 g/mol
Exact Mass242.11
IUPAC Name2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)acetohydrazide
SMILESCN1C(=O)N(C)C2C1NC(=O)N2CC(=O)NN
InChIInChI=1S/C8H14N6O3/c1-12-5-6(13(2)8(12)17)14(7(16)10-5)3-4(15)11-9/h5-6H,3,9H2,1-2H3,(H,10,16)(H,11,15)
InChIKeyRCKOQJDZHCNAOR-UHFFFAOYSA-N
XLogP-2.35
TPSA111.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 5-2.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)acetohydrazide?
The IUPAC name of 2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)acetohydrazide (CID 164889580) is 2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)acetohydrazide.
What is the SMILES notation for 2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)acetohydrazide?
The canonical SMILES for 2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)acetohydrazide is CN1C(=O)N(C)C2C1NC(=O)N2CC(=O)NN.
What is the InChIKey of 2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)acetohydrazide?
The InChIKey is RCKOQJDZHCNAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O3/c1-12-5-6(13(2)8(12)17)14(7(16)10-5)3-4(15)11-9/h5-6H,3,9H2,1-2H3,(H,10,16)(H,11,15).
What are the key properties of 2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)acetohydrazide?
2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)acetohydrazide has a molecular weight of 242.24 g/mol, XLogP of -2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)acetohydrazide is sourced from PubChem (CID 164889580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).