N-amino-N',2,2-trimethyl-3,5-dioxopiperazine-1-carboximidamide

C8H15N5O2 — CID 104882314

IUPACN-amino-N',2,2-trimethyl-3,5-dioxopiperazine-1-carboximidamide
SMILESC/N=C(\NN)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C8H15N5O2/c1-8(2)6(15)11-5(14)4-13(8)7(10-3)12-9/h4,9H2,1-3H3,(H,10,12)(H,11,14,15)
InChIKeyNOSOGGNFXSPOGF-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.83
Rot. Bonds

About N-amino-N',2,2-trimethyl-3,5-dioxopiperazine-1-carboximidamide

N-amino-N',2,2-trimethyl-3,5-dioxopiperazine-1-carboximidamide (PubChem CID 104882314) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-amino-N',2,2-trimethyl-3,5-dioxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N',2,2-trimethyl-3,5-dioxopiperazine-1-carboximidamide
PubChem CID104882314
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC NameN-amino-N',2,2-trimethyl-3,5-dioxopiperazine-1-carboximidamide
SMILESC/N=C(\NN)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C8H15N5O2/c1-8(2)6(15)11-5(14)4-13(8)7(10-3)12-9/h4,9H2,1-3H3,(H,10,12)(H,11,14,15)
InChIKeyNOSOGGNFXSPOGF-UHFFFAOYSA-N
XLogP-1.83
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-amino-N',2,2-trimethyl-3,5-dioxopiperazine-1-carboximidamide 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 N-amino-N',2,2-trimethyl-3,5-dioxopiperazine-1-carboximidamide?
The IUPAC name of N-amino-N',2,2-trimethyl-3,5-dioxopiperazine-1-carboximidamide (CID 104882314) is N-amino-N',2,2-trimethyl-3,5-dioxopiperazine-1-carboximidamide.
What is the SMILES notation for N-amino-N',2,2-trimethyl-3,5-dioxopiperazine-1-carboximidamide?
The canonical SMILES for N-amino-N',2,2-trimethyl-3,5-dioxopiperazine-1-carboximidamide is C/N=C(\NN)N1CC(=O)NC(=O)C1(C)C.
What is the InChIKey of N-amino-N',2,2-trimethyl-3,5-dioxopiperazine-1-carboximidamide?
The InChIKey is NOSOGGNFXSPOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-8(2)6(15)11-5(14)4-13(8)7(10-3)12-9/h4,9H2,1-3H3,(H,10,12)(H,11,14,15).
What are the key properties of N-amino-N',2,2-trimethyl-3,5-dioxopiperazine-1-carboximidamide?
N-amino-N',2,2-trimethyl-3,5-dioxopiperazine-1-carboximidamide has a molecular weight of 213.24 g/mol, XLogP of -1.83, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N',2,2-trimethyl-3,5-dioxopiperazine-1-carboximidamide is sourced from PubChem (CID 104882314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).