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

C7H13N5O2 — CID 104882339

IUPACN-amino-N',2-dimethyl-3,5-dioxopiperazine-1-carboximidamide
SMILESC/N=C(\NN)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C7H13N5O2/c1-4-6(14)10-5(13)3-12(4)7(9-2)11-8/h4H,3,8H2,1-2H3,(H,9,11)(H,10,13,14)
InChIKeyGQFJFHZDPPTPNL-UHFFFAOYSA-N
MW199.21 g/mol
LogP-2.22
Rot. Bonds

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

N-amino-N',2-dimethyl-3,5-dioxopiperazine-1-carboximidamide (PubChem CID 104882339) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is N-amino-N',2-dimethyl-3,5-dioxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N',2-dimethyl-3,5-dioxopiperazine-1-carboximidamide
PubChem CID104882339
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC NameN-amino-N',2-dimethyl-3,5-dioxopiperazine-1-carboximidamide
SMILESC/N=C(\NN)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C7H13N5O2/c1-4-6(14)10-5(13)3-12(4)7(9-2)11-8/h4H,3,8H2,1-2H3,(H,9,11)(H,10,13,14)
InChIKeyGQFJFHZDPPTPNL-UHFFFAOYSA-N
XLogP-2.22
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-2.22
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'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N',2-dimethyl-3,5-dioxopiperazine-1-carboximidamide?
The IUPAC name of N-amino-N',2-dimethyl-3,5-dioxopiperazine-1-carboximidamide (CID 104882339) is N-amino-N',2-dimethyl-3,5-dioxopiperazine-1-carboximidamide.
What is the SMILES notation for N-amino-N',2-dimethyl-3,5-dioxopiperazine-1-carboximidamide?
The canonical SMILES for N-amino-N',2-dimethyl-3,5-dioxopiperazine-1-carboximidamide is C/N=C(\NN)N1CC(=O)NC(=O)C1C.
What is the InChIKey of N-amino-N',2-dimethyl-3,5-dioxopiperazine-1-carboximidamide?
The InChIKey is GQFJFHZDPPTPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-4-6(14)10-5(13)3-12(4)7(9-2)11-8/h4H,3,8H2,1-2H3,(H,9,11)(H,10,13,14).
What are the key properties of N-amino-N',2-dimethyl-3,5-dioxopiperazine-1-carboximidamide?
N-amino-N',2-dimethyl-3,5-dioxopiperazine-1-carboximidamide has a molecular weight of 199.21 g/mol, XLogP of -2.22, 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-dimethyl-3,5-dioxopiperazine-1-carboximidamide is sourced from PubChem (CID 104882339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).