3-[[amino-(hydroxyamino)methylidene]amino]propylazanium

C4H13N4O+ — CID 5287648

IUPAC3-[[amino-(hydroxyamino)methylidene]amino]propylazanium
SMILESN/C(=N\CCC[NH3+])NO
InChIInChI=1S/C4H12N4O/c5-2-1-3-7-4(6)8-9/h9H,1-3,5H2,(H3,6,7,8)/p+1
InChIKeyHYBLXYGPQAIGPY-UHFFFAOYSA-O
MW133.18 g/mol
LogP-2.09
Rot. Bonds3

About 3-[[amino-(hydroxyamino)methylidene]amino]propylazanium

3-[[amino-(hydroxyamino)methylidene]amino]propylazanium (PubChem CID 5287648) has the molecular formula C4H13N4O+ and a molecular weight of 133.18 g/mol. Its IUPAC name is 3-[[amino-(hydroxyamino)methylidene]amino]propylazanium.

Molecular Properties

Compound Name3-[[amino-(hydroxyamino)methylidene]amino]propylazanium
PubChem CID5287648
Molecular FormulaC4H13N4O+
Molecular Weight133.18 g/mol
Exact Mass133.11
IUPAC Name3-[[amino-(hydroxyamino)methylidene]amino]propylazanium
SMILESN/C(=N\CCC[NH3+])NO
InChIInChI=1S/C4H12N4O/c5-2-1-3-7-4(6)8-9/h9H,1-3,5H2,(H3,6,7,8)/p+1
InChIKeyHYBLXYGPQAIGPY-UHFFFAOYSA-O
XLogP-2.09
TPSA98.28 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.18
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[amino-(hydroxyamino)methylidene]amino]propylazanium?
The IUPAC name of 3-[[amino-(hydroxyamino)methylidene]amino]propylazanium (CID 5287648) is 3-[[amino-(hydroxyamino)methylidene]amino]propylazanium.
What is the SMILES notation for 3-[[amino-(hydroxyamino)methylidene]amino]propylazanium?
The canonical SMILES for 3-[[amino-(hydroxyamino)methylidene]amino]propylazanium is N/C(=N\CCC[NH3+])NO.
What is the InChIKey of 3-[[amino-(hydroxyamino)methylidene]amino]propylazanium?
The InChIKey is HYBLXYGPQAIGPY-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H12N4O/c5-2-1-3-7-4(6)8-9/h9H,1-3,5H2,(H3,6,7,8)/p+1.
What are the key properties of 3-[[amino-(hydroxyamino)methylidene]amino]propylazanium?
3-[[amino-(hydroxyamino)methylidene]amino]propylazanium has a molecular weight of 133.18 g/mol, XLogP of -2.09, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-(hydroxyamino)methylidene]amino]propylazanium is sourced from PubChem (CID 5287648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).