(2,4-dichlorophenyl)-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone

C16H11Cl2N3O2 — CID 42727132

IUPAC(2,4-dichlorophenyl)-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone
SMILESCOc1nc(-c2ccccc2)n(C(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H11Cl2N3O2/c1-23-16-19-14(10-5-3-2-4-6-10)21(20-16)15(22)12-8-7-11(17)9-13(12)18/h2-9H,1H3
InChIKeySKOQRTDILKKNGA-UHFFFAOYSA-N
MW348.19 g/mol
LogP3.95
Rot. Bonds3

About (2,4-dichlorophenyl)-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone

(2,4-dichlorophenyl)-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone (PubChem CID 42727132) has the molecular formula C16H11Cl2N3O2 and a molecular weight of 348.19 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone
PubChem CID42727132
Molecular FormulaC16H11Cl2N3O2
Molecular Weight348.19 g/mol
Exact Mass347.02
IUPAC Name(2,4-dichlorophenyl)-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone
SMILESCOc1nc(-c2ccccc2)n(C(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H11Cl2N3O2/c1-23-16-19-14(10-5-3-2-4-6-10)21(20-16)15(22)12-8-7-11(17)9-13(12)18/h2-9H,1H3
InChIKeySKOQRTDILKKNGA-UHFFFAOYSA-N
XLogP3.95
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone
CID 42730200
(2-chlorophenyl)-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone
CID 42730210
furan-2-yl-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone
CID 42727133
(2,4-dichlorophenyl)-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone
CID 1062032
(2-chlorophenyl)-[5-(3-chlorophenyl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]methanone
CID 42730398
[5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone
CID 1061681
[5-(1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]-(2,4-dichlorophenyl)methanone
CID 42730123
1-(2,4-dichlorobenzoyl)indazole-3-carboxylic acid
CID 58796752
[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone
CID 42730372
[5-[(2-chlorophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(2,4-dichlorophenyl)methanone
CID 4313754
2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide
CID 138998439
[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(3,4-dichlorophenyl)methanone
CID 42730241

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone (CID 42727132) is (2,4-dichlorophenyl)-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone is COc1nc(-c2ccccc2)n(C(=O)c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of (2,4-dichlorophenyl)-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone?
The InChIKey is SKOQRTDILKKNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2/c1-23-16-19-14(10-5-3-2-4-6-10)21(20-16)15(22)12-8-7-11(17)9-13(12)18/h2-9H,1H3.
What are the key properties of (2,4-dichlorophenyl)-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone?
(2,4-dichlorophenyl)-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone has a molecular weight of 348.19 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone is sourced from PubChem (CID 42727132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).