N-diazenyl-2-(methylamino)acetamide

C3H8N4O — CID 137160680

IUPACN-diazenyl-2-(methylamino)acetamide
SMILES[H]/N=N/NC(=O)CNC
InChIInChI=1S/C3H8N4O/c1-5-2-3(8)6-7-4/h5H,2H2,1H3,(H2,4,6,8)
InChIKeyLDVJTGWQKZASKX-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.73
Rot. Bonds3

About N-diazenyl-2-(methylamino)acetamide

N-diazenyl-2-(methylamino)acetamide (PubChem CID 137160680) has the molecular formula C3H8N4O and a molecular weight of 116.12 g/mol. Its IUPAC name is N-diazenyl-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-diazenyl-2-(methylamino)acetamide
PubChem CID137160680
Molecular FormulaC3H8N4O
Molecular Weight116.12 g/mol
Exact Mass116.07
IUPAC NameN-diazenyl-2-(methylamino)acetamide
SMILES[H]/N=N/NC(=O)CNC
InChIInChI=1S/C3H8N4O/c1-5-2-3(8)6-7-4/h5H,2H2,1H3,(H2,4,6,8)
InChIKeyLDVJTGWQKZASKX-UHFFFAOYSA-N
XLogP-0.73
TPSA77.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-diazenyl-2-(methylamino)acetamide?
The IUPAC name of N-diazenyl-2-(methylamino)acetamide (CID 137160680) is N-diazenyl-2-(methylamino)acetamide.
What is the SMILES notation for N-diazenyl-2-(methylamino)acetamide?
The canonical SMILES for N-diazenyl-2-(methylamino)acetamide is [H]/N=N/NC(=O)CNC.
What is the InChIKey of N-diazenyl-2-(methylamino)acetamide?
The InChIKey is LDVJTGWQKZASKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4O/c1-5-2-3(8)6-7-4/h5H,2H2,1H3,(H2,4,6,8).
What are the key properties of N-diazenyl-2-(methylamino)acetamide?
N-diazenyl-2-(methylamino)acetamide has a molecular weight of 116.12 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazenyl-2-(methylamino)acetamide is sourced from PubChem (CID 137160680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).