(E)-bis(1H-pyrrol-2-yl)diazene

C8H8N4 — CID 135744201

IUPAC(E)-bis(1H-pyrrol-2-yl)diazene
SMILESc1c[nH]c(/N=N/c2ccc[nH]2)c1
InChIInChI=1S/C8H8N4/c1-3-7(9-5-1)11-12-8-4-2-6-10-8/h1-6,9-10H/b12-11+
InChIKeyHWJWLMGQELRZQJ-VAWYXSNFSA-N
MW160.18 g/mol
LogP2.76
Rot. Bonds2

About (E)-bis(1H-pyrrol-2-yl)diazene

(E)-bis(1H-pyrrol-2-yl)diazene (PubChem CID 135744201) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is (E)-bis(1H-pyrrol-2-yl)diazene.

Molecular Properties

Compound Name(E)-bis(1H-pyrrol-2-yl)diazene
PubChem CID135744201
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name(E)-bis(1H-pyrrol-2-yl)diazene
SMILESc1c[nH]c(/N=N/c2ccc[nH]2)c1
InChIInChI=1S/C8H8N4/c1-3-7(9-5-1)11-12-8-4-2-6-10-8/h1-6,9-10H/b12-11+
InChIKeyHWJWLMGQELRZQJ-VAWYXSNFSA-N
XLogP2.76
TPSA56.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 52.76
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-bis(1H-pyrrol-2-yl)diazene?
The IUPAC name of (E)-bis(1H-pyrrol-2-yl)diazene (CID 135744201) is (E)-bis(1H-pyrrol-2-yl)diazene.
What is the SMILES notation for (E)-bis(1H-pyrrol-2-yl)diazene?
The canonical SMILES for (E)-bis(1H-pyrrol-2-yl)diazene is c1c[nH]c(/N=N/c2ccc[nH]2)c1.
What is the InChIKey of (E)-bis(1H-pyrrol-2-yl)diazene?
The InChIKey is HWJWLMGQELRZQJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C8H8N4/c1-3-7(9-5-1)11-12-8-4-2-6-10-8/h1-6,9-10H/b12-11+.
What are the key properties of (E)-bis(1H-pyrrol-2-yl)diazene?
(E)-bis(1H-pyrrol-2-yl)diazene has a molecular weight of 160.18 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-bis(1H-pyrrol-2-yl)diazene is sourced from PubChem (CID 135744201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).