1-(aminodiazenyl)-3-methylbenzene

C7H9N3 — CID 18991169

IUPAC1-(aminodiazenyl)-3-methylbenzene
SMILESCc1cccc(/N=N/N)c1
InChIInChI=1S/C7H9N3/c1-6-3-2-4-7(5-6)9-10-8/h2-5H,1H3,(H2,8,9)
InChIKeyPLXBDQGCZZZPSZ-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.95
Rot. Bonds1

About 1-(aminodiazenyl)-3-methylbenzene

1-(aminodiazenyl)-3-methylbenzene (PubChem CID 18991169) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 1-(aminodiazenyl)-3-methylbenzene.

Molecular Properties

Compound Name1-(aminodiazenyl)-3-methylbenzene
PubChem CID18991169
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name1-(aminodiazenyl)-3-methylbenzene
SMILESCc1cccc(/N=N/N)c1
InChIInChI=1S/C7H9N3/c1-6-3-2-4-7(5-6)9-10-8/h2-5H,1H3,(H2,8,9)
InChIKeyPLXBDQGCZZZPSZ-UHFFFAOYSA-N
XLogP1.95
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.95
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-(aminodiazenyl)-3-methylbenzene?
The IUPAC name of 1-(aminodiazenyl)-3-methylbenzene (CID 18991169) is 1-(aminodiazenyl)-3-methylbenzene.
What is the SMILES notation for 1-(aminodiazenyl)-3-methylbenzene?
The canonical SMILES for 1-(aminodiazenyl)-3-methylbenzene is Cc1cccc(/N=N/N)c1.
What is the InChIKey of 1-(aminodiazenyl)-3-methylbenzene?
The InChIKey is PLXBDQGCZZZPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-6-3-2-4-7(5-6)9-10-8/h2-5H,1H3,(H2,8,9).
What are the key properties of 1-(aminodiazenyl)-3-methylbenzene?
1-(aminodiazenyl)-3-methylbenzene has a molecular weight of 135.17 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminodiazenyl)-3-methylbenzene is sourced from PubChem (CID 18991169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).