4-(3-methoxyphenyl)-1-(3-methylphenyl)triazole

C16H15N3O — CID 20977584

IUPAC4-(3-methoxyphenyl)-1-(3-methylphenyl)triazole
SMILESCOc1cccc(-c2cn(-c3cccc(C)c3)nn2)c1
InChIInChI=1S/C16H15N3O/c1-12-5-3-7-14(9-12)19-11-16(17-18-19)13-6-4-8-15(10-13)20-2/h3-11H,1-2H3
InChIKeySMMUTFMWDSZRNM-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.25
Rot. Bonds3

About 4-(3-methoxyphenyl)-1-(3-methylphenyl)triazole

4-(3-methoxyphenyl)-1-(3-methylphenyl)triazole (PubChem CID 20977584) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-1-(3-methylphenyl)triazole.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-1-(3-methylphenyl)triazole
PubChem CID20977584
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-(3-methoxyphenyl)-1-(3-methylphenyl)triazole
SMILESCOc1cccc(-c2cn(-c3cccc(C)c3)nn2)c1
InChIInChI=1S/C16H15N3O/c1-12-5-3-7-14(9-12)19-11-16(17-18-19)13-6-4-8-15(10-13)20-2/h3-11H,1-2H3
InChIKeySMMUTFMWDSZRNM-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

1-(3-fluorophenyl)-4-(3-methoxyphenyl)triazole
CID 155276348
1-(3-methylphenyl)-4-(4-methylphenyl)triazole
CID 153378101
4-[1-(3-methoxyphenyl)triazol-4-yl]phenol
CID 156521583
3-[1-(3-methylphenyl)triazol-4-yl]benzonitrile
CID 122190595
1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-4-phenyltriazole
CID 175596970
4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole
CID 141476610
5-[1-[3,5-difluoro-4-(3-methoxyphenyl)phenyl]triazol-4-yl]pyrimidin-2-amine
CID 163366439
ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497
2-[1-(3-methoxyphenyl)triazol-4-yl]propan-2-amine
CID 63997508
3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxylate
CID 6946121
1-(3-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 114798653
3-[1-[3-(4-methyl-2-pyridinyl)phenyl]triazol-4-yl]-N,N-diphenylaniline
CID 158539257

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-1-(3-methylphenyl)triazole?
The IUPAC name of 4-(3-methoxyphenyl)-1-(3-methylphenyl)triazole (CID 20977584) is 4-(3-methoxyphenyl)-1-(3-methylphenyl)triazole.
What is the SMILES notation for 4-(3-methoxyphenyl)-1-(3-methylphenyl)triazole?
The canonical SMILES for 4-(3-methoxyphenyl)-1-(3-methylphenyl)triazole is COc1cccc(-c2cn(-c3cccc(C)c3)nn2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-1-(3-methylphenyl)triazole?
The InChIKey is SMMUTFMWDSZRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-5-3-7-14(9-12)19-11-16(17-18-19)13-6-4-8-15(10-13)20-2/h3-11H,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)-1-(3-methylphenyl)triazole?
4-(3-methoxyphenyl)-1-(3-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-(3-methoxyphenyl)-1-(3-methylphenyl)triazole is sourced from PubChem (CID 20977584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).