2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione

C24H16Cl2N4O3 — CID 155720282

About 2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione

2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione (PubChem CID 155720282) has the molecular formula C24H16Cl2N4O3 and a molecular weight of 479.32 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione.

Molecular Properties

• Compound Name: 2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione
• PubChem CID: 155720282
• Molecular Formula: C24H16Cl2N4O3
• Molecular Weight: 479.32 g/mol
• Exact Mass: 478.06
• IUPAC Name: 2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione
• SMILES: Cc1nn(-c2cc(Cl)c(Oc3ccc4[nH]cc(-c5ccccc5)c4c3)c(Cl)c2)c(=O)[nH]c1=O
• InChI: InChI=1S/C24H16Cl2N4O3/c1-13-23(31)28-24(32)30(29-13)15-9-19(25)22(20(26)10-15)33-16-7-8-21-17(11-16)18(12-27-21)14-5-3-2-4-6-14/h2-12,27H,1H3,(H,28,31,32)
• InChIKey: XAQNOUXWRCCEEO-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 92.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.32
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione?

The IUPAC name of 2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione (CID 155720282) is 2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione.

What is the SMILES notation for 2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione?

The canonical SMILES for 2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione is Cc1nn(-c2cc(Cl)c(Oc3ccc4[nH]cc(-c5ccccc5)c4c3)c(Cl)c2)c(=O)[nH]c1=O.

What is the InChIKey of 2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione?

The InChIKey is XAQNOUXWRCCEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N4O3/c1-13-23(31)28-24(32)30(29-13)15-9-19(25)22(20(26)10-15)33-16-7-8-21-17(11-16)18(12-27-21)14-5-3-2-4-6-14/h2-12,27H,1H3,(H,28,31,32).

What are the key properties of 2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione?

2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione has a molecular weight of 479.32 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-dichloro-4-[(3-phenyl-1H-indol-5-yl)oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 155720282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).