1-(aminodiazenyl)-2,3,4-trimethylbenzene

C9H13N3 — CID 20976812

IUPAC1-(aminodiazenyl)-2,3,4-trimethylbenzene
SMILESCc1ccc(/N=N/N)c(C)c1C
InChIInChI=1S/C9H13N3/c1-6-4-5-9(11-12-10)8(3)7(6)2/h4-5H,1-3H3,(H2,10,11)
InChIKeyULHDWPTVSQUJNP-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.57
Rot. Bonds1

About 1-(aminodiazenyl)-2,3,4-trimethylbenzene

1-(aminodiazenyl)-2,3,4-trimethylbenzene (PubChem CID 20976812) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(aminodiazenyl)-2,3,4-trimethylbenzene.

Molecular Properties

Compound Name1-(aminodiazenyl)-2,3,4-trimethylbenzene
PubChem CID20976812
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1-(aminodiazenyl)-2,3,4-trimethylbenzene
SMILESCc1ccc(/N=N/N)c(C)c1C
InChIInChI=1S/C9H13N3/c1-6-4-5-9(11-12-10)8(3)7(6)2/h4-5H,1-3H3,(H2,10,11)
InChIKeyULHDWPTVSQUJNP-UHFFFAOYSA-N
XLogP2.57
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.57
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

o-Tolidine
CID 8413
2,4-Dimethylaniline
CID 7250
3,4-Dimethylaniline
CID 7248
2,4,5-Trimethylaniline
CID 8717
4,4'-Diamino-3,3'-dimethyldiphenylmethane
CID 13283
2,3-Dimethylaniline
CID 6893
(R)-6,6'-Dimethyl-1,1'-biphenyl-2,2'-diyldiamine
CID 882241
1,3-Benzenediamine, ar-ethyl-ar-methyl-
CID 19869829
Benzenamine, 2,4-dimethyl-, hydrochloride (1:1)
CID 88898
3-Methyl-2-naphthalenamine
CID 21168
Benzenamine, 2,4,5-trimethyl-, hydrochloride (1:1)
CID 5284470
Benzenediamine, ar,ar-diethyl-ar-methyl-
CID 18695160

Frequently Asked Questions

What is the IUPAC name of 1-(aminodiazenyl)-2,3,4-trimethylbenzene?
The IUPAC name of 1-(aminodiazenyl)-2,3,4-trimethylbenzene (CID 20976812) is 1-(aminodiazenyl)-2,3,4-trimethylbenzene.
What is the SMILES notation for 1-(aminodiazenyl)-2,3,4-trimethylbenzene?
The canonical SMILES for 1-(aminodiazenyl)-2,3,4-trimethylbenzene is Cc1ccc(/N=N/N)c(C)c1C.
What is the InChIKey of 1-(aminodiazenyl)-2,3,4-trimethylbenzene?
The InChIKey is ULHDWPTVSQUJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-6-4-5-9(11-12-10)8(3)7(6)2/h4-5H,1-3H3,(H2,10,11).
What are the key properties of 1-(aminodiazenyl)-2,3,4-trimethylbenzene?
1-(aminodiazenyl)-2,3,4-trimethylbenzene has a molecular weight of 163.22 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminodiazenyl)-2,3,4-trimethylbenzene is sourced from PubChem (CID 20976812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).