6-(4-chlorophenyl)-4-oxido-3-phenyl-1,2,4-triazin-4-ium

C15H10ClN3O — CID 11231429

IUPAC6-(4-chlorophenyl)-4-oxido-3-phenyl-1,2,4-triazin-4-ium
SMILES[O-][n+]1cc(-c2ccc(Cl)cc2)nnc1-c1ccccc1
InChIInChI=1S/C15H10ClN3O/c16-13-8-6-11(7-9-13)14-10-19(20)15(18-17-14)12-4-2-1-3-5-12/h1-10H
InChIKeyWSTMYVLSIBKOSC-UHFFFAOYSA-N
MW283.72 g/mol
LogP3.10
Rot. Bonds2

About 6-(4-chlorophenyl)-4-oxido-3-phenyl-1,2,4-triazin-4-ium

6-(4-chlorophenyl)-4-oxido-3-phenyl-1,2,4-triazin-4-ium (PubChem CID 11231429) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-oxido-3-phenyl-1,2,4-triazin-4-ium.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-oxido-3-phenyl-1,2,4-triazin-4-ium
PubChem CID11231429
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name6-(4-chlorophenyl)-4-oxido-3-phenyl-1,2,4-triazin-4-ium
SMILES[O-][n+]1cc(-c2ccc(Cl)cc2)nnc1-c1ccccc1
InChIInChI=1S/C15H10ClN3O/c16-13-8-6-11(7-9-13)14-10-19(20)15(18-17-14)12-4-2-1-3-5-12/h1-10H
InChIKeyWSTMYVLSIBKOSC-UHFFFAOYSA-N
XLogP3.10
TPSA52.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

6-(4-nitrophenyl)-4-oxido-3-phenyl-1,2,4-triazin-4-ium
CID 6409490
2,4-bis(4-chlorophenyl)-6-phenylpyridine
CID 3640020
3,6-bis(4-chlorophenyl)pyridazine
CID 11197367
3-(4-chlorophenyl)-4-oxido-5-phenyl-1,2,4-oxadiazol-4-ium
CID 15466843
3-(furan-2-yl)-4-oxido-6-pyridin-4-yl-1,2,4-triazin-4-ium
CID 6404881
4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine
CID 582047
2-methyl-1-oxido-5-phenylpyrazin-1-ium
CID 12565971
1-methyl-3,5-diphenylpyrazin-1-ium perchlorate
CID 12065475
2-(4-chlorophenyl)-4-phenyl-1,3-selenazole
CID 15468155
2-(4-chlorophenyl)-4-phenyl-1,3-oxazole
CID 15358896
3-chloro-6-phenyl-1,2,4-triazine
CID 11030632
4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine
CID 167485118

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-oxido-3-phenyl-1,2,4-triazin-4-ium?
The IUPAC name of 6-(4-chlorophenyl)-4-oxido-3-phenyl-1,2,4-triazin-4-ium (CID 11231429) is 6-(4-chlorophenyl)-4-oxido-3-phenyl-1,2,4-triazin-4-ium.
What is the SMILES notation for 6-(4-chlorophenyl)-4-oxido-3-phenyl-1,2,4-triazin-4-ium?
The canonical SMILES for 6-(4-chlorophenyl)-4-oxido-3-phenyl-1,2,4-triazin-4-ium is [O-][n+]1cc(-c2ccc(Cl)cc2)nnc1-c1ccccc1.
What is the InChIKey of 6-(4-chlorophenyl)-4-oxido-3-phenyl-1,2,4-triazin-4-ium?
The InChIKey is WSTMYVLSIBKOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O/c16-13-8-6-11(7-9-13)14-10-19(20)15(18-17-14)12-4-2-1-3-5-12/h1-10H.
What are the key properties of 6-(4-chlorophenyl)-4-oxido-3-phenyl-1,2,4-triazin-4-ium?
6-(4-chlorophenyl)-4-oxido-3-phenyl-1,2,4-triazin-4-ium has a molecular weight of 283.72 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-oxido-3-phenyl-1,2,4-triazin-4-ium is sourced from PubChem (CID 11231429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).