2-(aminodiazenyl)-1H-pyrrole

C4H6N4 — CID 136656474

IUPAC2-(aminodiazenyl)-1H-pyrrole
SMILESNN=Nc1ccc[nH]1
InChIInChI=1S/C4H6N4/c5-8-7-4-2-1-3-6-4/h1-3,6H,(H2,5,7)
InChIKeyFRNCTKAOIMCFGL-UHFFFAOYSA-N
MW110.12 g/mol
LogP0.97
Rot. Bonds1

About 2-(aminodiazenyl)-1H-pyrrole

2-(aminodiazenyl)-1H-pyrrole (PubChem CID 136656474) has the molecular formula C4H6N4 and a molecular weight of 110.12 g/mol. Its IUPAC name is 2-(aminodiazenyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(aminodiazenyl)-1H-pyrrole
PubChem CID136656474
Molecular FormulaC4H6N4
Molecular Weight110.12 g/mol
Exact Mass110.06
IUPAC Name2-(aminodiazenyl)-1H-pyrrole
SMILESNN=Nc1ccc[nH]1
InChIInChI=1S/C4H6N4/c5-8-7-4-2-1-3-6-4/h1-3,6H,(H2,5,7)
InChIKeyFRNCTKAOIMCFGL-UHFFFAOYSA-N
XLogP0.97
TPSA66.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.97
H-Bond Donors ≤ 52
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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Nitropyrrole
CID 96706
2-Aminopyrrole
CID 5324781
1H-Pyrrole-3-carboximidamide
CID 176662
2-Dimethylaminopyrrole
CID 15826366
Amino(hydroxy)-1,2-azole
CID 17779280
N-Methyl-1H-pyrrol-2-amine
CID 17805735
2,4-Diaminopyrrole
CID 19935251
Aziridinylazole
CID 20447273
Diaminoazole
CID 20540606
Pyrrolylpyrrole
CID 21863152
1,2-Diaminoazole
CID 21989062
Piperazinopyrrole
CID 22181888

Frequently Asked Questions

What is the IUPAC name of 2-(aminodiazenyl)-1H-pyrrole?
The IUPAC name of 2-(aminodiazenyl)-1H-pyrrole (CID 136656474) is 2-(aminodiazenyl)-1H-pyrrole.
What is the SMILES notation for 2-(aminodiazenyl)-1H-pyrrole?
The canonical SMILES for 2-(aminodiazenyl)-1H-pyrrole is NN=Nc1ccc[nH]1.
What is the InChIKey of 2-(aminodiazenyl)-1H-pyrrole?
The InChIKey is FRNCTKAOIMCFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4/c5-8-7-4-2-1-3-6-4/h1-3,6H,(H2,5,7).
What are the key properties of 2-(aminodiazenyl)-1H-pyrrole?
2-(aminodiazenyl)-1H-pyrrole has a molecular weight of 110.12 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminodiazenyl)-1H-pyrrole is sourced from PubChem (CID 136656474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).