(4-diazenyl-5-methoxy-2-methylphenyl)-(4-methyl-2-nitrophenyl)diazene

C15H15N5O3 — CID 3312176

IUPAC(4-diazenyl-5-methoxy-2-methylphenyl)-(4-methyl-2-nitrophenyl)diazene
SMILES[H]/N=N/c1cc(C)c(/N=N/c2ccc(C)cc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C15H15N5O3/c1-9-4-5-11(14(6-9)20(21)22)18-19-12-8-15(23-3)13(17-16)7-10(12)2/h4-8,16H,1-3H3/b17-16+,19-18+
InChIKeyGMKDGPKFCJDBAN-NBRVCOCJSA-N
MW313.32 g/mol
LogP5.30
Rot. Bonds5

About (4-diazenyl-5-methoxy-2-methylphenyl)-(4-methyl-2-nitrophenyl)diazene

(4-diazenyl-5-methoxy-2-methylphenyl)-(4-methyl-2-nitrophenyl)diazene (PubChem CID 3312176) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is (4-diazenyl-5-methoxy-2-methylphenyl)-(4-methyl-2-nitrophenyl)diazene.

Molecular Properties

Compound Name(4-diazenyl-5-methoxy-2-methylphenyl)-(4-methyl-2-nitrophenyl)diazene
PubChem CID3312176
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name(4-diazenyl-5-methoxy-2-methylphenyl)-(4-methyl-2-nitrophenyl)diazene
SMILES[H]/N=N/c1cc(C)c(/N=N/c2ccc(C)cc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C15H15N5O3/c1-9-4-5-11(14(6-9)20(21)22)18-19-12-8-15(23-3)13(17-16)7-10(12)2/h4-8,16H,1-3H3/b17-16+,19-18+
InChIKeyGMKDGPKFCJDBAN-NBRVCOCJSA-N
XLogP5.30
TPSA113.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.32
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 (4-diazenyl-5-methoxy-2-methylphenyl)-(4-methyl-2-nitrophenyl)diazene?
The IUPAC name of (4-diazenyl-5-methoxy-2-methylphenyl)-(4-methyl-2-nitrophenyl)diazene (CID 3312176) is (4-diazenyl-5-methoxy-2-methylphenyl)-(4-methyl-2-nitrophenyl)diazene.
What is the SMILES notation for (4-diazenyl-5-methoxy-2-methylphenyl)-(4-methyl-2-nitrophenyl)diazene?
The canonical SMILES for (4-diazenyl-5-methoxy-2-methylphenyl)-(4-methyl-2-nitrophenyl)diazene is [H]/N=N/c1cc(C)c(/N=N/c2ccc(C)cc2[N+](=O)[O-])cc1OC.
What is the InChIKey of (4-diazenyl-5-methoxy-2-methylphenyl)-(4-methyl-2-nitrophenyl)diazene?
The InChIKey is GMKDGPKFCJDBAN-NBRVCOCJSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-9-4-5-11(14(6-9)20(21)22)18-19-12-8-15(23-3)13(17-16)7-10(12)2/h4-8,16H,1-3H3/b17-16+,19-18+.
What are the key properties of (4-diazenyl-5-methoxy-2-methylphenyl)-(4-methyl-2-nitrophenyl)diazene?
(4-diazenyl-5-methoxy-2-methylphenyl)-(4-methyl-2-nitrophenyl)diazene has a molecular weight of 313.32 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-diazenyl-5-methoxy-2-methylphenyl)-(4-methyl-2-nitrophenyl)diazene is sourced from PubChem (CID 3312176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).