2-(5-ethyl-2-methylphenyl)-4-nitroso-6-(3-propan-2-ylphenyl)-1,3,5-triazine

C21H22N4O — CID 135158670

IUPAC2-(5-ethyl-2-methylphenyl)-4-nitroso-6-(3-propan-2-ylphenyl)-1,3,5-triazine
SMILESCCc1ccc(C)c(-c2nc(N=O)nc(-c3cccc(C(C)C)c3)n2)c1
InChIInChI=1S/C21H22N4O/c1-5-15-10-9-14(4)18(11-15)20-22-19(23-21(24-20)25-26)17-8-6-7-16(12-17)13(2)3/h6-13H,5H2,1-4H3
InChIKeySXTTWUDFEBVGQT-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.60
Rot. Bonds5

About 2-(5-ethyl-2-methylphenyl)-4-nitroso-6-(3-propan-2-ylphenyl)-1,3,5-triazine

2-(5-ethyl-2-methylphenyl)-4-nitroso-6-(3-propan-2-ylphenyl)-1,3,5-triazine (PubChem CID 135158670) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylphenyl)-4-nitroso-6-(3-propan-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(5-ethyl-2-methylphenyl)-4-nitroso-6-(3-propan-2-ylphenyl)-1,3,5-triazine
PubChem CID135158670
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-(5-ethyl-2-methylphenyl)-4-nitroso-6-(3-propan-2-ylphenyl)-1,3,5-triazine
SMILESCCc1ccc(C)c(-c2nc(N=O)nc(-c3cccc(C(C)C)c3)n2)c1
InChIInChI=1S/C21H22N4O/c1-5-15-10-9-14(4)18(11-15)20-22-19(23-21(24-20)25-26)17-8-6-7-16(12-17)13(2)3/h6-13H,5H2,1-4H3
InChIKeySXTTWUDFEBVGQT-UHFFFAOYSA-N
XLogP5.60
TPSA68.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylphenyl)-4-nitroso-6-(3-propan-2-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(5-ethyl-2-methylphenyl)-4-nitroso-6-(3-propan-2-ylphenyl)-1,3,5-triazine (CID 135158670) is 2-(5-ethyl-2-methylphenyl)-4-nitroso-6-(3-propan-2-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(5-ethyl-2-methylphenyl)-4-nitroso-6-(3-propan-2-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(5-ethyl-2-methylphenyl)-4-nitroso-6-(3-propan-2-ylphenyl)-1,3,5-triazine is CCc1ccc(C)c(-c2nc(N=O)nc(-c3cccc(C(C)C)c3)n2)c1.
What is the InChIKey of 2-(5-ethyl-2-methylphenyl)-4-nitroso-6-(3-propan-2-ylphenyl)-1,3,5-triazine?
The InChIKey is SXTTWUDFEBVGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-5-15-10-9-14(4)18(11-15)20-22-19(23-21(24-20)25-26)17-8-6-7-16(12-17)13(2)3/h6-13H,5H2,1-4H3.
What are the key properties of 2-(5-ethyl-2-methylphenyl)-4-nitroso-6-(3-propan-2-ylphenyl)-1,3,5-triazine?
2-(5-ethyl-2-methylphenyl)-4-nitroso-6-(3-propan-2-ylphenyl)-1,3,5-triazine has a molecular weight of 346.43 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylphenyl)-4-nitroso-6-(3-propan-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 135158670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).