N-diazenylpropan-2-imine

C3H7N3 — CID 123232444

IUPACN-diazenylpropan-2-imine
SMILES[H]/N=N/N=C(C)C
InChIInChI=1S/C3H7N3/c1-3(2)5-6-4/h4H,1-2H3/b6-4+
InChIKeyRUNAPJAIZZMYHW-GQCTYLIASA-N
MW85.11 g/mol
LogP1.41
Rot. Bonds1

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 NameN-diazenylpropan-2-imine
PubChem CID123232444
Molecular FormulaC3H7N3
Molecular Weight85.11 g/mol
Exact Mass85.06
IUPAC NameN-diazenylpropan-2-imine
SMILES[H]/N=N/N=C(C)C
InChIInChI=1S/C3H7N3/c1-3(2)5-6-4/h4H,1-2H3/b6-4+
InChIKeyRUNAPJAIZZMYHW-GQCTYLIASA-N
XLogP1.41
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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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).