1-aminopropan-2-one;azidomethane;O-methylhydroxylamine

C5H15N5O2 — CID 159740744

IUPAC1-aminopropan-2-one;azidomethane;O-methylhydroxylamine
SMILESCC(=O)CN.CN=[N+]=[N-].CON
InChIInChI=1S/C3H7NO.CH3N3.CH5NO/c1-3(5)2-4;1-3-4-2;1-3-2/h2,4H2,1H3;1H3;2H2,1H3
InChIKeyNCKQIQFGCZZZGF-UHFFFAOYSA-N
MW177.21 g/mol
LogP-0.03
Rot. Bonds1

About 1-aminopropan-2-one;azidomethane;O-methylhydroxylamine

1-aminopropan-2-one;azidomethane;O-methylhydroxylamine (PubChem CID 159740744) has the molecular formula C5H15N5O2 and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-aminopropan-2-one;azidomethane;O-methylhydroxylamine.

Molecular Properties

Compound Name1-aminopropan-2-one;azidomethane;O-methylhydroxylamine
PubChem CID159740744
Molecular FormulaC5H15N5O2
Molecular Weight177.21 g/mol
Exact Mass177.12
IUPAC Name1-aminopropan-2-one;azidomethane;O-methylhydroxylamine
SMILESCC(=O)CN.CN=[N+]=[N-].CON
InChIInChI=1S/C3H7NO.CH3N3.CH5NO/c1-3(5)2-4;1-3-4-2;1-3-2/h2,4H2,1H3;1H3;2H2,1H3
InChIKeyNCKQIQFGCZZZGF-UHFFFAOYSA-N
XLogP-0.03
TPSA127.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-aminopropan-2-one;azidomethane;O-methylhydroxylamine 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 1-aminopropan-2-one;azidomethane;O-methylhydroxylamine?
The IUPAC name of 1-aminopropan-2-one;azidomethane;O-methylhydroxylamine (CID 159740744) is 1-aminopropan-2-one;azidomethane;O-methylhydroxylamine.
What is the SMILES notation for 1-aminopropan-2-one;azidomethane;O-methylhydroxylamine?
The canonical SMILES for 1-aminopropan-2-one;azidomethane;O-methylhydroxylamine is CC(=O)CN.CN=[N+]=[N-].CON.
What is the InChIKey of 1-aminopropan-2-one;azidomethane;O-methylhydroxylamine?
The InChIKey is NCKQIQFGCZZZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.CH3N3.CH5NO/c1-3(5)2-4;1-3-4-2;1-3-2/h2,4H2,1H3;1H3;2H2,1H3.
What are the key properties of 1-aminopropan-2-one;azidomethane;O-methylhydroxylamine?
1-aminopropan-2-one;azidomethane;O-methylhydroxylamine has a molecular weight of 177.21 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-one;azidomethane;O-methylhydroxylamine is sourced from PubChem (CID 159740744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).