2-methyl-3,5-dioxopiperazine-1-carbohydrazide

C6H10N4O3 — CID 66074885

IUPAC2-methyl-3,5-dioxopiperazine-1-carbohydrazide
SMILESCC1C(=O)NC(=O)CN1C(=O)NN
InChIInChI=1S/C6H10N4O3/c1-3-5(12)8-4(11)2-10(3)6(13)9-7/h3H,2,7H2,1H3,(H,9,13)(H,8,11,12)
InChIKeyGJSIMTUKVMQSEH-UHFFFAOYSA-N
MW186.17 g/mol
LogP-2.08
Rot. Bonds

About 2-methyl-3,5-dioxopiperazine-1-carbohydrazide

2-methyl-3,5-dioxopiperazine-1-carbohydrazide (PubChem CID 66074885) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2-methyl-3,5-dioxopiperazine-1-carbohydrazide.

Molecular Properties

Compound Name2-methyl-3,5-dioxopiperazine-1-carbohydrazide
PubChem CID66074885
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Name2-methyl-3,5-dioxopiperazine-1-carbohydrazide
SMILESCC1C(=O)NC(=O)CN1C(=O)NN
InChIInChI=1S/C6H10N4O3/c1-3-5(12)8-4(11)2-10(3)6(13)9-7/h3H,2,7H2,1H3,(H,9,13)(H,8,11,12)
InChIKeyGJSIMTUKVMQSEH-UHFFFAOYSA-N
XLogP-2.08
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-2.08
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-methyl-3,5-dioxopiperazine-1-carbohydrazide 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 2-methyl-3,5-dioxopiperazine-1-carbohydrazide?
The IUPAC name of 2-methyl-3,5-dioxopiperazine-1-carbohydrazide (CID 66074885) is 2-methyl-3,5-dioxopiperazine-1-carbohydrazide.
What is the SMILES notation for 2-methyl-3,5-dioxopiperazine-1-carbohydrazide?
The canonical SMILES for 2-methyl-3,5-dioxopiperazine-1-carbohydrazide is CC1C(=O)NC(=O)CN1C(=O)NN.
What is the InChIKey of 2-methyl-3,5-dioxopiperazine-1-carbohydrazide?
The InChIKey is GJSIMTUKVMQSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3/c1-3-5(12)8-4(11)2-10(3)6(13)9-7/h3H,2,7H2,1H3,(H,9,13)(H,8,11,12).
What are the key properties of 2-methyl-3,5-dioxopiperazine-1-carbohydrazide?
2-methyl-3,5-dioxopiperazine-1-carbohydrazide has a molecular weight of 186.17 g/mol, XLogP of -2.08, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,5-dioxopiperazine-1-carbohydrazide is sourced from PubChem (CID 66074885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).