2-(2,5-dichlorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one

C15H11Cl2N3O — CID 18385345

IUPAC2-(2,5-dichlorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one
SMILESCn1c(-c2ccccc2)nn(-c2cc(Cl)ccc2Cl)c1=O
InChIInChI=1S/C15H11Cl2N3O/c1-19-14(10-5-3-2-4-6-10)18-20(15(19)21)13-9-11(16)7-8-12(13)17/h2-9H,1H3
InChIKeyRRTDTVMSBBVMFX-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.54
Rot. Bonds2

About 2-(2,5-dichlorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one

2-(2,5-dichlorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one (PubChem CID 18385345) has the molecular formula C15H11Cl2N3O and a molecular weight of 320.18 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one
PubChem CID18385345
Molecular FormulaC15H11Cl2N3O
Molecular Weight320.18 g/mol
Exact Mass319.03
IUPAC Name2-(2,5-dichlorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one
SMILESCn1c(-c2ccccc2)nn(-c2cc(Cl)ccc2Cl)c1=O
InChIInChI=1S/C15H11Cl2N3O/c1-19-14(10-5-3-2-4-6-10)18-20(15(19)21)13-9-11(16)7-8-12(13)17/h2-9H,1H3
InChIKeyRRTDTVMSBBVMFX-UHFFFAOYSA-N
XLogP3.54
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(dimethylamino)ethyl]phenyl]-4-methyl-5-phenyl-1,2,4-triazol-3-one
CID 70154946
1-(2,5-dichlorophenyl)-3-ethyl-5-phenylpyrazole-4-carboxylic acid
CID 3344991
3-(2,5-dichlorophenyl)-4,6-dimethyltriazolo[4,5-d]pyrimidine-5,7-dione
CID 14022286
3-(5-chloro-2-methylphenyl)-2,6-diphenylpyrimidin-4-one
CID 13280782
2-(2,5-dichlorophenyl)-5-methyl-1-oxo-4-phenyl-1,2-thiazol-3-one
CID 102586846
1-(2,5-dichlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole
CID 19587288
N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide
CID 46087822
1-(2,5-dichlorophenyl)-3-(4-phenylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3500540
2-(2,4-dichlorophenyl)-4-methylphthalazin-1-one
CID 745846
6-chloro-1-methyl-2-phenylbenzimidazole
CID 12738431
(E)-1-[1-(2,5-dichlorophenyl)-5-methyltriazol-4-yl]-3-phenylprop-2-en-1-one
CID 46198191
8-(2,4-dichlorophenyl)-7-methyl-2-phenylpyrimido[1,2-b]pyridazin-4-one
CID 141219323

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one?
The IUPAC name of 2-(2,5-dichlorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one (CID 18385345) is 2-(2,5-dichlorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-(2,5-dichlorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one is Cn1c(-c2ccccc2)nn(-c2cc(Cl)ccc2Cl)c1=O.
What is the InChIKey of 2-(2,5-dichlorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one?
The InChIKey is RRTDTVMSBBVMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O/c1-19-14(10-5-3-2-4-6-10)18-20(15(19)21)13-9-11(16)7-8-12(13)17/h2-9H,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one?
2-(2,5-dichlorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one has a molecular weight of 320.18 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one is sourced from PubChem (CID 18385345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).