1-(aminodiazenyl)-2-methylbenzene

C7H9N3 — CID 21467423

IUPAC1-(aminodiazenyl)-2-methylbenzene
SMILESCc1ccccc1/N=N/N
InChIInChI=1S/C7H9N3/c1-6-4-2-3-5-7(6)9-10-8/h2-5H,1H3,(H2,8,9)
InChIKeyXDAOHSWNTUSNAB-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.95
Rot. Bonds1

About 1-(aminodiazenyl)-2-methylbenzene

1-(aminodiazenyl)-2-methylbenzene (PubChem CID 21467423) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 1-(aminodiazenyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(aminodiazenyl)-2-methylbenzene
PubChem CID21467423
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name1-(aminodiazenyl)-2-methylbenzene
SMILESCc1ccccc1/N=N/N
InChIInChI=1S/C7H9N3/c1-6-4-2-3-5-7(6)9-10-8/h2-5H,1H3,(H2,8,9)
InChIKeyXDAOHSWNTUSNAB-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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Related Compounds

2-(aminodiazenyl)aniline
CID 18792571
ethyl-(2-methylphenyl)diazene
CID 145391472
1-(aminodiazenyl)-3-chloro-2-methylbenzene
CID 126516374
(2Z)-2-hydrazinylidene-N-(2-methylphenyl)ethanimine
CID 118946137
1-(aminodiazenyl)-2,3,4-trimethylbenzene
CID 20976812
ethane;(2-methylphenyl)-phenyldiazene;propane
CID 143988882
1-(aminodiazenyl)-2-hydrazinylbenzene
CID 121336512
2,6-dimethyl-4-[(2-methylphenyl)diazenyl]phenol
CID 137240605
ethanol;3-methyl-2-[(2-methylphenyl)diazenyl]aniline
CID 87488741
1-methyl-2-[2-[(2-methylphenyl)diazenyl]hydrazinyl]benzene
CID 25021273
1-(aminodiazenyl)-2-buta-1,3-diynylbenzene
CID 123163694
4-amino-3-[(2-methylphenyl)diazenyl]naphthalene-1-sulfonate
CID 139208472

Frequently Asked Questions

What is the IUPAC name of 1-(aminodiazenyl)-2-methylbenzene?
The IUPAC name of 1-(aminodiazenyl)-2-methylbenzene (CID 21467423) is 1-(aminodiazenyl)-2-methylbenzene.
What is the SMILES notation for 1-(aminodiazenyl)-2-methylbenzene?
The canonical SMILES for 1-(aminodiazenyl)-2-methylbenzene is Cc1ccccc1/N=N/N.
What is the InChIKey of 1-(aminodiazenyl)-2-methylbenzene?
The InChIKey is XDAOHSWNTUSNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-6-4-2-3-5-7(6)9-10-8/h2-5H,1H3,(H2,8,9).
What are the key properties of 1-(aminodiazenyl)-2-methylbenzene?
1-(aminodiazenyl)-2-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)-2-methylbenzene is sourced from PubChem (CID 21467423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).