5-methyl-4-phenyl-1-(4-propan-2-yloxyphenyl)triazole

C18H19N3O — CID 13162146

IUPAC5-methyl-4-phenyl-1-(4-propan-2-yloxyphenyl)triazole
SMILESCc1c(-c2ccccc2)nnn1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H19N3O/c1-13(2)22-17-11-9-16(10-12-17)21-14(3)18(19-20-21)15-7-5-4-6-8-15/h4-13H,1-3H3
InChIKeyDRELVTDIEHTXRX-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.03
Rot. Bonds4

About 5-methyl-4-phenyl-1-(4-propan-2-yloxyphenyl)triazole

5-methyl-4-phenyl-1-(4-propan-2-yloxyphenyl)triazole (PubChem CID 13162146) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-methyl-4-phenyl-1-(4-propan-2-yloxyphenyl)triazole.

Molecular Properties

Compound Name5-methyl-4-phenyl-1-(4-propan-2-yloxyphenyl)triazole
PubChem CID13162146
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name5-methyl-4-phenyl-1-(4-propan-2-yloxyphenyl)triazole
SMILESCc1c(-c2ccccc2)nnn1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H19N3O/c1-13(2)22-17-11-9-16(10-12-17)21-14(3)18(19-20-21)15-7-5-4-6-8-15/h4-13H,1-3H3
InChIKeyDRELVTDIEHTXRX-UHFFFAOYSA-N
XLogP4.03
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-1-(4-propan-2-yloxyphenyl)triazole?
The IUPAC name of 5-methyl-4-phenyl-1-(4-propan-2-yloxyphenyl)triazole (CID 13162146) is 5-methyl-4-phenyl-1-(4-propan-2-yloxyphenyl)triazole.
What is the SMILES notation for 5-methyl-4-phenyl-1-(4-propan-2-yloxyphenyl)triazole?
The canonical SMILES for 5-methyl-4-phenyl-1-(4-propan-2-yloxyphenyl)triazole is Cc1c(-c2ccccc2)nnn1-c1ccc(OC(C)C)cc1.
What is the InChIKey of 5-methyl-4-phenyl-1-(4-propan-2-yloxyphenyl)triazole?
The InChIKey is DRELVTDIEHTXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13(2)22-17-11-9-16(10-12-17)21-14(3)18(19-20-21)15-7-5-4-6-8-15/h4-13H,1-3H3.
What are the key properties of 5-methyl-4-phenyl-1-(4-propan-2-yloxyphenyl)triazole?
5-methyl-4-phenyl-1-(4-propan-2-yloxyphenyl)triazole has a molecular weight of 293.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-1-(4-propan-2-yloxyphenyl)triazole is sourced from PubChem (CID 13162146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).