4-phenyldiazenylbenzene-1,2,3,5-tetramine

C12H14N6 — CID 175027546

IUPAC4-phenyldiazenylbenzene-1,2,3,5-tetramine
SMILESNc1cc(N)c(/N=N/c2ccccc2)c(N)c1N
InChIInChI=1S/C12H14N6/c13-8-6-9(14)12(11(16)10(8)15)18-17-7-4-2-1-3-5-7/h1-6H,13-16H2/b18-17+
InChIKeyOMSXJFYAYITCRY-ISLYRVAYSA-N
MW242.29 g/mol
LogP2.43
Rot. Bonds2

About 4-phenyldiazenylbenzene-1,2,3,5-tetramine

4-phenyldiazenylbenzene-1,2,3,5-tetramine (PubChem CID 175027546) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 4-phenyldiazenylbenzene-1,2,3,5-tetramine.

Molecular Properties

Compound Name4-phenyldiazenylbenzene-1,2,3,5-tetramine
PubChem CID175027546
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name4-phenyldiazenylbenzene-1,2,3,5-tetramine
SMILESNc1cc(N)c(/N=N/c2ccccc2)c(N)c1N
InChIInChI=1S/C12H14N6/c13-8-6-9(14)12(11(16)10(8)15)18-17-7-4-2-1-3-5-7/h1-6H,13-16H2/b18-17+
InChIKeyOMSXJFYAYITCRY-ISLYRVAYSA-N
XLogP2.43
TPSA128.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-phenyldiazenylbenzene-1,2,3,5-tetramine?
The IUPAC name of 4-phenyldiazenylbenzene-1,2,3,5-tetramine (CID 175027546) is 4-phenyldiazenylbenzene-1,2,3,5-tetramine.
What is the SMILES notation for 4-phenyldiazenylbenzene-1,2,3,5-tetramine?
The canonical SMILES for 4-phenyldiazenylbenzene-1,2,3,5-tetramine is Nc1cc(N)c(/N=N/c2ccccc2)c(N)c1N.
What is the InChIKey of 4-phenyldiazenylbenzene-1,2,3,5-tetramine?
The InChIKey is OMSXJFYAYITCRY-ISLYRVAYSA-N. The full InChI is InChI=1S/C12H14N6/c13-8-6-9(14)12(11(16)10(8)15)18-17-7-4-2-1-3-5-7/h1-6H,13-16H2/b18-17+.
What are the key properties of 4-phenyldiazenylbenzene-1,2,3,5-tetramine?
4-phenyldiazenylbenzene-1,2,3,5-tetramine has a molecular weight of 242.29 g/mol, XLogP of 2.43, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyldiazenylbenzene-1,2,3,5-tetramine is sourced from PubChem (CID 175027546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).