4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazole

C18H15ClN6O — CID 70332319

IUPAC4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazole
SMILESCOc1ccc(-c2nnc(Cn3nccn3)n2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H15ClN6O/c1-26-16-8-2-13(3-9-16)18-23-22-17(12-24-20-10-11-21-24)25(18)15-6-4-14(19)5-7-15/h2-11H,12H2,1H3
InChIKeyXEEWLTQRMITWPH-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.24
Rot. Bonds5

About 4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazole

4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazole (PubChem CID 70332319) has the molecular formula C18H15ClN6O and a molecular weight of 366.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazole
PubChem CID70332319
Molecular FormulaC18H15ClN6O
Molecular Weight366.81 g/mol
Exact Mass366.10
IUPAC Name4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazole
SMILESCOc1ccc(-c2nnc(Cn3nccn3)n2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H15ClN6O/c1-26-16-8-2-13(3-9-16)18-23-22-17(12-24-20-10-11-21-24)25(18)15-6-4-14(19)5-7-15/h2-11H,12H2,1H3
InChIKeyXEEWLTQRMITWPH-UHFFFAOYSA-N
XLogP3.24
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-bromophenyl)-4-(4-methoxyphenyl)-5-(pyrazol-1-ylmethyl)-1,2,4-triazole
CID 59799916
3-(imidazol-1-ylmethyl)-5-(4-iodophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole
CID 59799879
4-[5-ethyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline
CID 13174862
2-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
CID 980512
2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
CID 78763487
1-(4-chlorophenyl)-2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 2047966
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
CID 102231682
3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 1142987
2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 986886
1-(4-chlorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 19353947
4-[5-(2,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenol
CID 142961507
3-(chloromethyl)-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole
CID 83968302

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazole?
The IUPAC name of 4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazole (CID 70332319) is 4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazole.
What is the SMILES notation for 4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazole?
The canonical SMILES for 4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazole is COc1ccc(-c2nnc(Cn3nccn3)n2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazole?
The InChIKey is XEEWLTQRMITWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O/c1-26-16-8-2-13(3-9-16)18-23-22-17(12-24-20-10-11-21-24)25(18)15-6-4-14(19)5-7-15/h2-11H,12H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazole?
4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazole has a molecular weight of 366.81 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazole is sourced from PubChem (CID 70332319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).