6-(2-chlorophenyl)-3-[3-[6-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazin-3-yl]phenyl]-4H-1,2,4-triazin-5-one

C24H14Cl2N6O2 — CID 135493728

IUPAC6-(2-chlorophenyl)-3-[3-[6-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazin-3-yl]phenyl]-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(-c2cccc(-c3nnc(-c4ccccc4Cl)c(=O)[nH]3)c2)nnc1-c1ccccc1Cl
InChIInChI=1S/C24H14Cl2N6O2/c25-17-10-3-1-8-15(17)19-23(33)27-21(31-29-19)13-6-5-7-14(12-13)22-28-24(34)20(30-32-22)16-9-2-4-11-18(16)26/h1-12H,(H,27,31,33)(H,28,32,34)
InChIKeyTZGCWZYSHKUUJK-UHFFFAOYSA-N
MW489.32 g/mol
LogP4.62
Rot. Bonds4

About 6-(2-chlorophenyl)-3-[3-[6-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazin-3-yl]phenyl]-4H-1,2,4-triazin-5-one

6-(2-chlorophenyl)-3-[3-[6-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazin-3-yl]phenyl]-4H-1,2,4-triazin-5-one (PubChem CID 135493728) has the molecular formula C24H14Cl2N6O2 and a molecular weight of 489.32 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-3-[3-[6-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazin-3-yl]phenyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-3-[3-[6-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazin-3-yl]phenyl]-4H-1,2,4-triazin-5-one
PubChem CID135493728
Molecular FormulaC24H14Cl2N6O2
Molecular Weight489.32 g/mol
Exact Mass488.06
IUPAC Name6-(2-chlorophenyl)-3-[3-[6-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazin-3-yl]phenyl]-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(-c2cccc(-c3nnc(-c4ccccc4Cl)c(=O)[nH]3)c2)nnc1-c1ccccc1Cl
InChIInChI=1S/C24H14Cl2N6O2/c25-17-10-3-1-8-15(17)19-23(33)27-21(31-29-19)13-6-5-7-14(12-13)22-28-24(34)20(30-32-22)16-9-2-4-11-18(16)26/h1-12H,(H,27,31,33)(H,28,32,34)
InChIKeyTZGCWZYSHKUUJK-UHFFFAOYSA-N
XLogP4.62
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.32
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-3-[3-[6-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazin-3-yl]phenyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-(2-chlorophenyl)-3-[3-[6-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazin-3-yl]phenyl]-4H-1,2,4-triazin-5-one (CID 135493728) is 6-(2-chlorophenyl)-3-[3-[6-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazin-3-yl]phenyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-(2-chlorophenyl)-3-[3-[6-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazin-3-yl]phenyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-(2-chlorophenyl)-3-[3-[6-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazin-3-yl]phenyl]-4H-1,2,4-triazin-5-one is O=c1[nH]c(-c2cccc(-c3nnc(-c4ccccc4Cl)c(=O)[nH]3)c2)nnc1-c1ccccc1Cl.
What is the InChIKey of 6-(2-chlorophenyl)-3-[3-[6-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazin-3-yl]phenyl]-4H-1,2,4-triazin-5-one?
The InChIKey is TZGCWZYSHKUUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2N6O2/c25-17-10-3-1-8-15(17)19-23(33)27-21(31-29-19)13-6-5-7-14(12-13)22-28-24(34)20(30-32-22)16-9-2-4-11-18(16)26/h1-12H,(H,27,31,33)(H,28,32,34).
What are the key properties of 6-(2-chlorophenyl)-3-[3-[6-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazin-3-yl]phenyl]-4H-1,2,4-triazin-5-one?
6-(2-chlorophenyl)-3-[3-[6-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazin-3-yl]phenyl]-4H-1,2,4-triazin-5-one has a molecular weight of 489.32 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-3-[3-[6-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazin-3-yl]phenyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135493728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).