3-methoxy-2,4,5-triphenyl-3H-1,2,4-triazole

C21H19N3O — CID 2733187

IUPAC3-methoxy-2,4,5-triphenyl-3H-1,2,4-triazole
SMILESCOC1N(c2ccccc2)N=C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C21H19N3O/c1-25-21-23(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)22-24(21)19-15-9-4-10-16-19/h2-16,21H,1H3
InChIKeyZDSYEVZBXOPWNL-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.30
Rot. Bonds4

About 3-methoxy-2,4,5-triphenyl-3H-1,2,4-triazole

3-methoxy-2,4,5-triphenyl-3H-1,2,4-triazole (PubChem CID 2733187) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-methoxy-2,4,5-triphenyl-3H-1,2,4-triazole.

Molecular Properties

Compound Name3-methoxy-2,4,5-triphenyl-3H-1,2,4-triazole
PubChem CID2733187
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name3-methoxy-2,4,5-triphenyl-3H-1,2,4-triazole
SMILESCOC1N(c2ccccc2)N=C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C21H19N3O/c1-25-21-23(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)22-24(21)19-15-9-4-10-16-19/h2-16,21H,1H3
InChIKeyZDSYEVZBXOPWNL-UHFFFAOYSA-N
XLogP4.30
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,4,5-triphenyl-3H-1,2,4-triazole?
The IUPAC name of 3-methoxy-2,4,5-triphenyl-3H-1,2,4-triazole (CID 2733187) is 3-methoxy-2,4,5-triphenyl-3H-1,2,4-triazole.
What is the SMILES notation for 3-methoxy-2,4,5-triphenyl-3H-1,2,4-triazole?
The canonical SMILES for 3-methoxy-2,4,5-triphenyl-3H-1,2,4-triazole is COC1N(c2ccccc2)N=C(c2ccccc2)N1c1ccccc1.
What is the InChIKey of 3-methoxy-2,4,5-triphenyl-3H-1,2,4-triazole?
The InChIKey is ZDSYEVZBXOPWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-25-21-23(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)22-24(21)19-15-9-4-10-16-19/h2-16,21H,1H3.
What are the key properties of 3-methoxy-2,4,5-triphenyl-3H-1,2,4-triazole?
3-methoxy-2,4,5-triphenyl-3H-1,2,4-triazole has a molecular weight of 329.40 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,4,5-triphenyl-3H-1,2,4-triazole is sourced from PubChem (CID 2733187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).