methyl-(1H-pyrrol-2-yldiazenyl)-(1H-pyrrol-2-ylimino)azanium

C9H11N6+ — CID 137132070

IUPACmethyl-(1H-pyrrol-2-yldiazenyl)-(1H-pyrrol-2-ylimino)azanium
SMILESC[N+](N=Nc1ccc[nH]1)=Nc1ccc[nH]1
InChIInChI=1S/C9H10N6/c1-15(13-9-5-3-7-11-9)14-12-8-4-2-6-10-8/h2-7H,1H3,(H,10,14)/p+1
InChIKeyBZBSBJVPSRVESP-UHFFFAOYSA-O
MW203.23 g/mol
LogP2.77
Rot. Bonds3

About methyl-(1H-pyrrol-2-yldiazenyl)-(1H-pyrrol-2-ylimino)azanium

methyl-(1H-pyrrol-2-yldiazenyl)-(1H-pyrrol-2-ylimino)azanium (PubChem CID 137132070) has the molecular formula C9H11N6+ and a molecular weight of 203.23 g/mol. Its IUPAC name is methyl-(1H-pyrrol-2-yldiazenyl)-(1H-pyrrol-2-ylimino)azanium.

Molecular Properties

Compound Namemethyl-(1H-pyrrol-2-yldiazenyl)-(1H-pyrrol-2-ylimino)azanium
PubChem CID137132070
Molecular FormulaC9H11N6+
Molecular Weight203.23 g/mol
Exact Mass203.10
IUPAC Namemethyl-(1H-pyrrol-2-yldiazenyl)-(1H-pyrrol-2-ylimino)azanium
SMILESC[N+](N=Nc1ccc[nH]1)=Nc1ccc[nH]1
InChIInChI=1S/C9H10N6/c1-15(13-9-5-3-7-11-9)14-12-8-4-2-6-10-8/h2-7H,1H3,(H,10,14)/p+1
InChIKeyBZBSBJVPSRVESP-UHFFFAOYSA-O
XLogP2.77
TPSA71.67 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 52.77
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-(1H-pyrrol-2-yldiazenyl)-(1H-pyrrol-2-ylimino)azanium?
The IUPAC name of methyl-(1H-pyrrol-2-yldiazenyl)-(1H-pyrrol-2-ylimino)azanium (CID 137132070) is methyl-(1H-pyrrol-2-yldiazenyl)-(1H-pyrrol-2-ylimino)azanium.
What is the SMILES notation for methyl-(1H-pyrrol-2-yldiazenyl)-(1H-pyrrol-2-ylimino)azanium?
The canonical SMILES for methyl-(1H-pyrrol-2-yldiazenyl)-(1H-pyrrol-2-ylimino)azanium is C[N+](N=Nc1ccc[nH]1)=Nc1ccc[nH]1.
What is the InChIKey of methyl-(1H-pyrrol-2-yldiazenyl)-(1H-pyrrol-2-ylimino)azanium?
The InChIKey is BZBSBJVPSRVESP-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H10N6/c1-15(13-9-5-3-7-11-9)14-12-8-4-2-6-10-8/h2-7H,1H3,(H,10,14)/p+1.
What are the key properties of methyl-(1H-pyrrol-2-yldiazenyl)-(1H-pyrrol-2-ylimino)azanium?
methyl-(1H-pyrrol-2-yldiazenyl)-(1H-pyrrol-2-ylimino)azanium has a molecular weight of 203.23 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(1H-pyrrol-2-yldiazenyl)-(1H-pyrrol-2-ylimino)azanium is sourced from PubChem (CID 137132070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).