N-diazenylpropan-2-imine

C3H7N3 — CID 123232444

About N-diazenylpropan-2-imine

N-diazenylpropan-2-imine (PubChem CID 123232444) has the molecular formula C3H7N3 and a molecular weight of 85.11 g/mol. Its IUPAC name is N-diazenylpropan-2-imine.

Molecular Properties

• Compound Name: N-diazenylpropan-2-imine
• PubChem CID: 123232444
• Molecular Formula: C3H7N3
• Molecular Weight: 85.11 g/mol
• Exact Mass: 85.06
• IUPAC Name: N-diazenylpropan-2-imine
• SMILES: [H]/N=N/N=C(C)C
• InChI: InChI=1S/C3H7N3/c1-3(2)5-6-4/h4H,1-2H3/b6-4+
• InChIKey: RUNAPJAIZZMYHW-GQCTYLIASA-N
• XLogP: 1.41
• TPSA: 48.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 6
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	85.11
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-diazenylpropan-2-imine?

The IUPAC name of N-diazenylpropan-2-imine (CID 123232444) is N-diazenylpropan-2-imine.

What is the SMILES notation for N-diazenylpropan-2-imine?

The canonical SMILES for N-diazenylpropan-2-imine is [H]/N=N/N=C(C)C.

What is the InChIKey of N-diazenylpropan-2-imine?

The InChIKey is RUNAPJAIZZMYHW-GQCTYLIASA-N. The full InChI is InChI=1S/C3H7N3/c1-3(2)5-6-4/h4H,1-2H3/b6-4+.

What are the key properties of N-diazenylpropan-2-imine?

N-diazenylpropan-2-imine has a molecular weight of 85.11 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-diazenylpropan-2-imine is sourced from PubChem (CID 123232444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).