2-N,2-N,6-N-trimethyl-4-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine

C18H20N8 — CID 90346186

IUPAC2-N,2-N,6-N-trimethyl-4-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(Nc2ccc(/N=N/c3ccccc3)cc2)nc(N(C)C)n1
InChIInChI=1S/C18H20N8/c1-19-16-21-17(23-18(22-16)26(2)3)20-13-9-11-15(12-10-13)25-24-14-7-5-4-6-8-14/h4-12H,1-3H3,(H2,19,20,21,22,23)/b25-24+
InChIKeyRKYWLOMAHLETDC-OCOZRVBESA-N
MW348.41 g/mol
LogP4.14
Rot. Bonds6

About 2-N,2-N,6-N-trimethyl-4-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N,6-N-trimethyl-4-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 90346186) has the molecular formula C18H20N8 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-N,2-N,6-N-trimethyl-4-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,6-N-trimethyl-4-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID90346186
Molecular FormulaC18H20N8
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC Name2-N,2-N,6-N-trimethyl-4-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(Nc2ccc(/N=N/c3ccccc3)cc2)nc(N(C)C)n1
InChIInChI=1S/C18H20N8/c1-19-16-21-17(23-18(22-16)26(2)3)20-13-9-11-15(12-10-13)25-24-14-7-5-4-6-8-14/h4-12H,1-3H3,(H2,19,20,21,22,23)/b25-24+
InChIKeyRKYWLOMAHLETDC-OCOZRVBESA-N
XLogP4.14
TPSA90.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N-trimethyl-4-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,6-N-trimethyl-4-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 90346186) is 2-N,2-N,6-N-trimethyl-4-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,6-N-trimethyl-4-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,6-N-trimethyl-4-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine is CNc1nc(Nc2ccc(/N=N/c3ccccc3)cc2)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N,6-N-trimethyl-4-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is RKYWLOMAHLETDC-OCOZRVBESA-N. The full InChI is InChI=1S/C18H20N8/c1-19-16-21-17(23-18(22-16)26(2)3)20-13-9-11-15(12-10-13)25-24-14-7-5-4-6-8-14/h4-12H,1-3H3,(H2,19,20,21,22,23)/b25-24+.
What are the key properties of 2-N,2-N,6-N-trimethyl-4-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,6-N-trimethyl-4-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 348.41 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N-trimethyl-4-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 90346186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).