3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole

C16H15N3O2 — CID 115393476

IUPAC3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole
SMILESCOc1cc(OC)cc(-c2nncn2-c2ccccc2)c1
InChIInChI=1S/C16H15N3O2/c1-20-14-8-12(9-15(10-14)21-2)16-18-17-11-19(16)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyUAVZPQOKKZAVDU-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.95
Rot. Bonds4

About 3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole

3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole (PubChem CID 115393476) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole
PubChem CID115393476
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole
SMILESCOc1cc(OC)cc(-c2nncn2-c2ccccc2)c1
InChIInChI=1S/C16H15N3O2/c1-20-14-8-12(9-15(10-14)21-2)16-18-17-11-19(16)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyUAVZPQOKKZAVDU-UHFFFAOYSA-N
XLogP2.95
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dichlorophenyl)-4-phenyl-1,2,4-triazole
CID 115393385
4-methoxy-2-(4-phenyl-1,2,4-triazol-3-yl)aniline
CID 115412400
2-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyridine
CID 106754498
4-tert-butyl-3-(3,5-dimethoxyphenyl)-1,2,4-triazole
CID 115394609
3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole
CID 115393413
3-chloro-4-(3,5-dimethoxyphenyl)-1,2,4-triazole
CID 63383430
3-(3-fluoro-5-nitrophenyl)-4-phenyl-1,2,4-triazole
CID 115393274
3-[(4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole
CID 115393487
4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole
CID 13019909
1,3-dimethoxy-5-phenylbenzene
CID 11469945
N-(3,5-dimethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 16529743
3-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1,2,4-triazole
CID 115393480

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole (CID 115393476) is 3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole is COc1cc(OC)cc(-c2nncn2-c2ccccc2)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole?
The InChIKey is UAVZPQOKKZAVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-20-14-8-12(9-15(10-14)21-2)16-18-17-11-19(16)13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole?
3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole has a molecular weight of 281.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole is sourced from PubChem (CID 115393476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).