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'}

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Related Compounds

N-(2-chloroacetyl)-2-methyl-3,5-dioxopiperazine-1-carboxamide
CID 66074493
N-(4-fluorophenyl)-2-methyl-3,5-dioxopiperazine-1-carboxamide
CID 66061213
3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335
5-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]pentanoic acid
CID 66076418
4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione
CID 103514063
3-methyl-4-(2-methylsulfanylacetyl)piperazine-2,6-dione
CID 66063866
5-amino-2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 66076222
4-(1-aminocyclobutanecarbonyl)-3-methylpiperazine-2,6-dione
CID 81169141
2-amino-N-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide
CID 66061602
4-(4-aminocyclohexanecarbonyl)-3-methylpiperazine-2,6-dione
CID 66063336
4-(2-tert-butylsulfanylacetyl)-3-methylpiperazine-2,6-dione
CID 66063693
N-[4-(1-hydroxyethyl)phenyl]-2-methyl-3,5-dioxopiperazine-1-carboxamide
CID 66075663

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).