1-[bis(4-methoxyphenyl)methyl]-1,2,4-triazole

C17H17N3O2 — CID 56652770

IUPAC1-[bis(4-methoxyphenyl)methyl]-1,2,4-triazole
SMILESCOc1ccc(C(c2ccc(OC)cc2)n2cncn2)cc1
InChIInChI=1S/C17H17N3O2/c1-21-15-7-3-13(4-8-15)17(20-12-18-11-19-20)14-5-9-16(22-2)10-6-14/h3-12,17H,1-2H3
InChIKeyGAKOFGXJDRGDTJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.93
Rot. Bonds5

About 1-[bis(4-methoxyphenyl)methyl]-1,2,4-triazole

1-[bis(4-methoxyphenyl)methyl]-1,2,4-triazole (PubChem CID 56652770) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[bis(4-methoxyphenyl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[bis(4-methoxyphenyl)methyl]-1,2,4-triazole
PubChem CID56652770
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-[bis(4-methoxyphenyl)methyl]-1,2,4-triazole
SMILESCOc1ccc(C(c2ccc(OC)cc2)n2cncn2)cc1
InChIInChI=1S/C17H17N3O2/c1-21-15-7-3-13(4-8-15)17(20-12-18-11-19-20)14-5-9-16(22-2)10-6-14/h3-12,17H,1-2H3
InChIKeyGAKOFGXJDRGDTJ-UHFFFAOYSA-N
XLogP2.93
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-{[4-(sulfamoyloxy)phenyl](1H-1,2,4-triazol-1-yl)methyl}phenyl) sulfamate
CID 15949288
1-[Bis-(4-hydroxyphenyl)methyl]-1H-[1,2,4]triazole
CID 21976905
1-[Bis-(3-hydroxy-4-methoxyphenyl)methyl]-1H-[1,2,4]triazole
CID 24901651
{4-[(4-cyanophenyl)(1H-1,2,4-triazol-1-yl)methyl]phenyl} sulfamate
CID 24901645
4-[(4-hydroxy-3-methoxyphenyl)(1H-1,2,4-triazol-1-yl)methyl]-2-methoxyphenol
CID 24901652
7-(4-Methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 662095
7-(4-Ethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 662134
7-(4-Ethoxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 662176
7-(4-Ethoxyphenyl)-5-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2950551
7-(4-Methoxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2999581
5-(4-Ethoxyphenyl)-7-(2-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 3823313
1-((4-methoxyphenyl)methyl)-1H-1,2,3,4-tetrazole
CID 10997805

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-methoxyphenyl)methyl]-1,2,4-triazole?
The IUPAC name of 1-[bis(4-methoxyphenyl)methyl]-1,2,4-triazole (CID 56652770) is 1-[bis(4-methoxyphenyl)methyl]-1,2,4-triazole.
What is the SMILES notation for 1-[bis(4-methoxyphenyl)methyl]-1,2,4-triazole?
The canonical SMILES for 1-[bis(4-methoxyphenyl)methyl]-1,2,4-triazole is COc1ccc(C(c2ccc(OC)cc2)n2cncn2)cc1.
What is the InChIKey of 1-[bis(4-methoxyphenyl)methyl]-1,2,4-triazole?
The InChIKey is GAKOFGXJDRGDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-21-15-7-3-13(4-8-15)17(20-12-18-11-19-20)14-5-9-16(22-2)10-6-14/h3-12,17H,1-2H3.
What are the key properties of 1-[bis(4-methoxyphenyl)methyl]-1,2,4-triazole?
1-[bis(4-methoxyphenyl)methyl]-1,2,4-triazole has a molecular weight of 295.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-methoxyphenyl)methyl]-1,2,4-triazole is sourced from PubChem (CID 56652770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).