ethane;1-methylimidazole-4,5-dicarbohydrazide

C8H16N6O2 — CID 143864935

IUPACethane;1-methylimidazole-4,5-dicarbohydrazide
SMILESCC.Cn1cnc(C(=O)NN)c1C(=O)NN
InChIInChI=1S/C6H10N6O2.C2H6/c1-12-2-9-3(5(13)10-7)4(12)6(14)11-8;1-2/h2H,7-8H2,1H3,(H,10,13)(H,11,14);1-2H3
InChIKeyZLXPBDYYQYWWDR-UHFFFAOYSA-N
MW228.26 g/mol
LogP-1.35
Rot. Bonds2

About ethane;1-methylimidazole-4,5-dicarbohydrazide

ethane;1-methylimidazole-4,5-dicarbohydrazide (PubChem CID 143864935) has the molecular formula C8H16N6O2 and a molecular weight of 228.26 g/mol. Its IUPAC name is ethane;1-methylimidazole-4,5-dicarbohydrazide.

Molecular Properties

Compound Nameethane;1-methylimidazole-4,5-dicarbohydrazide
PubChem CID143864935
Molecular FormulaC8H16N6O2
Molecular Weight228.26 g/mol
Exact Mass228.13
IUPAC Nameethane;1-methylimidazole-4,5-dicarbohydrazide
SMILESCC.Cn1cnc(C(=O)NN)c1C(=O)NN
InChIInChI=1S/C6H10N6O2.C2H6/c1-12-2-9-3(5(13)10-7)4(12)6(14)11-8;1-2/h2H,7-8H2,1H3,(H,10,13)(H,11,14);1-2H3
InChIKeyZLXPBDYYQYWWDR-UHFFFAOYSA-N
XLogP-1.35
TPSA128.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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'}

Analyze ethane;1-methylimidazole-4,5-dicarbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylimidazole-4,5-dicarbohydrazide?
The IUPAC name of ethane;1-methylimidazole-4,5-dicarbohydrazide (CID 143864935) is ethane;1-methylimidazole-4,5-dicarbohydrazide.
What is the SMILES notation for ethane;1-methylimidazole-4,5-dicarbohydrazide?
The canonical SMILES for ethane;1-methylimidazole-4,5-dicarbohydrazide is CC.Cn1cnc(C(=O)NN)c1C(=O)NN.
What is the InChIKey of ethane;1-methylimidazole-4,5-dicarbohydrazide?
The InChIKey is ZLXPBDYYQYWWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O2.C2H6/c1-12-2-9-3(5(13)10-7)4(12)6(14)11-8;1-2/h2H,7-8H2,1H3,(H,10,13)(H,11,14);1-2H3.
What are the key properties of ethane;1-methylimidazole-4,5-dicarbohydrazide?
ethane;1-methylimidazole-4,5-dicarbohydrazide has a molecular weight of 228.26 g/mol, XLogP of -1.35, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylimidazole-4,5-dicarbohydrazide is sourced from PubChem (CID 143864935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).