5-(2-chlorophenyl)-1-(4-methoxyphenyl)triazole

C15H12ClN3O — CID 14692138

IUPAC5-(2-chlorophenyl)-1-(4-methoxyphenyl)triazole
SMILESCOc1ccc(-n2nncc2-c2ccccc2Cl)cc1
InChIInChI=1S/C15H12ClN3O/c1-20-12-8-6-11(7-9-12)19-15(10-17-18-19)13-4-2-3-5-14(13)16/h2-10H,1H3
InChIKeyHMTGIKFYKNFWPQ-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.60
Rot. Bonds3

About 5-(2-chlorophenyl)-1-(4-methoxyphenyl)triazole

5-(2-chlorophenyl)-1-(4-methoxyphenyl)triazole (PubChem CID 14692138) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-(4-methoxyphenyl)triazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-(4-methoxyphenyl)triazole
PubChem CID14692138
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name5-(2-chlorophenyl)-1-(4-methoxyphenyl)triazole
SMILESCOc1ccc(-n2nncc2-c2ccccc2Cl)cc1
InChIInChI=1S/C15H12ClN3O/c1-20-12-8-6-11(7-9-12)19-15(10-17-18-19)13-4-2-3-5-14(13)16/h2-10H,1H3
InChIKeyHMTGIKFYKNFWPQ-UHFFFAOYSA-N
XLogP3.60
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1-(4-methoxyphenyl)triazole?
The IUPAC name of 5-(2-chlorophenyl)-1-(4-methoxyphenyl)triazole (CID 14692138) is 5-(2-chlorophenyl)-1-(4-methoxyphenyl)triazole.
What is the SMILES notation for 5-(2-chlorophenyl)-1-(4-methoxyphenyl)triazole?
The canonical SMILES for 5-(2-chlorophenyl)-1-(4-methoxyphenyl)triazole is COc1ccc(-n2nncc2-c2ccccc2Cl)cc1.
What is the InChIKey of 5-(2-chlorophenyl)-1-(4-methoxyphenyl)triazole?
The InChIKey is HMTGIKFYKNFWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-20-12-8-6-11(7-9-12)19-15(10-17-18-19)13-4-2-3-5-14(13)16/h2-10H,1H3.
What are the key properties of 5-(2-chlorophenyl)-1-(4-methoxyphenyl)triazole?
5-(2-chlorophenyl)-1-(4-methoxyphenyl)triazole has a molecular weight of 285.73 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1-(4-methoxyphenyl)triazole is sourced from PubChem (CID 14692138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).