4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole

C16H15N3O — CID 141476610

IUPAC4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole
SMILESCOc1ccc(-c2cn(-c3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C16H15N3O/c1-12-3-7-14(8-4-12)19-11-16(17-18-19)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3
InChIKeyBKOWROYFQLPQCG-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.25
Rot. Bonds3

About 4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole

4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole (PubChem CID 141476610) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole
PubChem CID141476610
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole
SMILESCOc1ccc(-c2cn(-c3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C16H15N3O/c1-12-3-7-14(8-4-12)19-11-16(17-18-19)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3
InChIKeyBKOWROYFQLPQCG-UHFFFAOYSA-N
XLogP3.25
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(4-methylphenyl)triazol-4-yl]phenol
CID 160861488
1-(4-chlorophenyl)-4-(4-methylphenyl)triazole
CID 134686857
[4-[1-(4-methylphenyl)triazol-4-yl]phenyl] sulfamate
CID 160971496
3,6-bis[1-(4-methoxyphenyl)triazol-4-yl]-9H-carbazole
CID 138740936
4-[4-(4-methoxyphenyl)triazol-1-yl]pyridine-2,6-dicarboxylic acid
CID 89482650
4-[1-(4-methylphenyl)triazol-4-yl]benzonitrile
CID 134864603
ethane;1-(4-methoxyphenyl)-4-methyltriazole
CID 143999618
1-(3-methylphenyl)-4-(4-methylphenyl)triazole
CID 153378101
methyl 4-[1-(4-methoxycarbonylphenyl)triazol-4-yl]benzoate
CID 102197872
4-[1-(3-methoxyphenyl)triazol-4-yl]phenol
CID 156521583
4-(3,4-dimethoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole
CID 11667722
4-(3-methoxyphenyl)-1-(3-methylphenyl)triazole
CID 20977584

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole?
The IUPAC name of 4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole (CID 141476610) is 4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole?
The canonical SMILES for 4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole is COc1ccc(-c2cn(-c3ccc(C)cc3)nn2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole?
The InChIKey is BKOWROYFQLPQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-3-7-14(8-4-12)19-11-16(17-18-19)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole?
4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole has a molecular weight of 265.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole is sourced from PubChem (CID 141476610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).