N-[(Z)-[6-(anilinodiazenyl)-2-[(E)-anilinodiazenyl]pyrimidin-4-yl]diazenyl]aniline

C22H19N11 — CID 91869160

IUPACN-[(Z)-[6-(anilinodiazenyl)-2-[(E)-anilinodiazenyl]pyrimidin-4-yl]diazenyl]aniline
SMILESc1ccc(N/N=N\c2cc(/N=N/Nc3ccccc3)nc(/N=N/Nc3ccccc3)n2)cc1
InChIInChI=1S/C22H19N11/c1-4-10-17(11-5-1)25-31-28-20-16-21(29-32-26-18-12-6-2-7-13-18)24-22(23-20)30-33-27-19-14-8-3-9-15-19/h1-16H,(H3,23,24,25,26,27,28,29,30)
InChIKeyGIAXYVBJLKZQPJ-UHFFFAOYSA-N
MW437.47 g/mol
LogP6.81
Rot. Bonds9

About N-[(Z)-[6-(anilinodiazenyl)-2-[(E)-anilinodiazenyl]pyrimidin-4-yl]diazenyl]aniline

N-[(Z)-[6-(anilinodiazenyl)-2-[(E)-anilinodiazenyl]pyrimidin-4-yl]diazenyl]aniline (PubChem CID 91869160) has the molecular formula C22H19N11 and a molecular weight of 437.47 g/mol. Its IUPAC name is N-[(Z)-[6-(anilinodiazenyl)-2-[(E)-anilinodiazenyl]pyrimidin-4-yl]diazenyl]aniline.

Molecular Properties

Compound NameN-[(Z)-[6-(anilinodiazenyl)-2-[(E)-anilinodiazenyl]pyrimidin-4-yl]diazenyl]aniline
PubChem CID91869160
Molecular FormulaC22H19N11
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC NameN-[(Z)-[6-(anilinodiazenyl)-2-[(E)-anilinodiazenyl]pyrimidin-4-yl]diazenyl]aniline
SMILESc1ccc(N/N=N\c2cc(/N=N/Nc3ccccc3)nc(/N=N/Nc3ccccc3)n2)cc1
InChIInChI=1S/C22H19N11/c1-4-10-17(11-5-1)25-31-28-20-16-21(29-32-26-18-12-6-2-7-13-18)24-22(23-20)30-33-27-19-14-8-3-9-15-19/h1-16H,(H3,23,24,25,26,27,28,29,30)
InChIKeyGIAXYVBJLKZQPJ-UHFFFAOYSA-N
XLogP6.81
TPSA136.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.47
LogP ≤ 56.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[(Z)-[6-(anilinodiazenyl)-2-[(E)-anilinodiazenyl]pyrimidin-4-yl]diazenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[6-(anilinodiazenyl)-2-[(E)-anilinodiazenyl]pyrimidin-4-yl]diazenyl]aniline?
The IUPAC name of N-[(Z)-[6-(anilinodiazenyl)-2-[(E)-anilinodiazenyl]pyrimidin-4-yl]diazenyl]aniline (CID 91869160) is N-[(Z)-[6-(anilinodiazenyl)-2-[(E)-anilinodiazenyl]pyrimidin-4-yl]diazenyl]aniline.
What is the SMILES notation for N-[(Z)-[6-(anilinodiazenyl)-2-[(E)-anilinodiazenyl]pyrimidin-4-yl]diazenyl]aniline?
The canonical SMILES for N-[(Z)-[6-(anilinodiazenyl)-2-[(E)-anilinodiazenyl]pyrimidin-4-yl]diazenyl]aniline is c1ccc(N/N=N\c2cc(/N=N/Nc3ccccc3)nc(/N=N/Nc3ccccc3)n2)cc1.
What is the InChIKey of N-[(Z)-[6-(anilinodiazenyl)-2-[(E)-anilinodiazenyl]pyrimidin-4-yl]diazenyl]aniline?
The InChIKey is GIAXYVBJLKZQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N11/c1-4-10-17(11-5-1)25-31-28-20-16-21(29-32-26-18-12-6-2-7-13-18)24-22(23-20)30-33-27-19-14-8-3-9-15-19/h1-16H,(H3,23,24,25,26,27,28,29,30).
What are the key properties of N-[(Z)-[6-(anilinodiazenyl)-2-[(E)-anilinodiazenyl]pyrimidin-4-yl]diazenyl]aniline?
N-[(Z)-[6-(anilinodiazenyl)-2-[(E)-anilinodiazenyl]pyrimidin-4-yl]diazenyl]aniline has a molecular weight of 437.47 g/mol, XLogP of 6.81, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[6-(anilinodiazenyl)-2-[(E)-anilinodiazenyl]pyrimidin-4-yl]diazenyl]aniline is sourced from PubChem (CID 91869160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).