bis(1H-pyrrol-2-yl)azaniumylideneazanide

C8H8N4 — CID 156695205

IUPACbis(1H-pyrrol-2-yl)azaniumylideneazanide
SMILES[N-]=[N+](c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C8H8N4/c9-12(7-3-1-5-10-7)8-4-2-6-11-8/h1-6,10-11H
InChIKeyAKBOHQSMIMYWIN-UHFFFAOYSA-N
MW160.18 g/mol
LogP2.20
Rot. Bonds2

About bis(1H-pyrrol-2-yl)azaniumylideneazanide

bis(1H-pyrrol-2-yl)azaniumylideneazanide (PubChem CID 156695205) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is bis(1H-pyrrol-2-yl)azaniumylideneazanide.

Molecular Properties

Compound Namebis(1H-pyrrol-2-yl)azaniumylideneazanide
PubChem CID156695205
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Namebis(1H-pyrrol-2-yl)azaniumylideneazanide
SMILES[N-]=[N+](c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C8H8N4/c9-12(7-3-1-5-10-7)8-4-2-6-11-8/h1-6,10-11H
InChIKeyAKBOHQSMIMYWIN-UHFFFAOYSA-N
XLogP2.20
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(1H-pyrrol-2-yl)azaniumylideneazanide?
The IUPAC name of bis(1H-pyrrol-2-yl)azaniumylideneazanide (CID 156695205) is bis(1H-pyrrol-2-yl)azaniumylideneazanide.
What is the SMILES notation for bis(1H-pyrrol-2-yl)azaniumylideneazanide?
The canonical SMILES for bis(1H-pyrrol-2-yl)azaniumylideneazanide is [N-]=[N+](c1ccc[nH]1)c1ccc[nH]1.
What is the InChIKey of bis(1H-pyrrol-2-yl)azaniumylideneazanide?
The InChIKey is AKBOHQSMIMYWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c9-12(7-3-1-5-10-7)8-4-2-6-11-8/h1-6,10-11H.
What are the key properties of bis(1H-pyrrol-2-yl)azaniumylideneazanide?
bis(1H-pyrrol-2-yl)azaniumylideneazanide has a molecular weight of 160.18 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-pyrrol-2-yl)azaniumylideneazanide is sourced from PubChem (CID 156695205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).