4-(2-butyl-5-phenyl-1,2,4-triazol-3-yl)phenol

C18H19N3O — CID 136783165

IUPAC4-(2-butyl-5-phenyl-1,2,4-triazol-3-yl)phenol
SMILESCCCCn1nc(-c2ccccc2)nc1-c1ccc(O)cc1
InChIInChI=1S/C18H19N3O/c1-2-3-13-21-18(15-9-11-16(22)12-10-15)19-17(20-21)14-7-5-4-6-8-14/h4-12,22H,2-3,13H2,1H3
InChIKeyOSPMTAHEQRMBFJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.12
Rot. Bonds5

About 4-(2-butyl-5-phenyl-1,2,4-triazol-3-yl)phenol

4-(2-butyl-5-phenyl-1,2,4-triazol-3-yl)phenol (PubChem CID 136783165) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(2-butyl-5-phenyl-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name4-(2-butyl-5-phenyl-1,2,4-triazol-3-yl)phenol
PubChem CID136783165
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-(2-butyl-5-phenyl-1,2,4-triazol-3-yl)phenol
SMILESCCCCn1nc(-c2ccccc2)nc1-c1ccc(O)cc1
InChIInChI=1S/C18H19N3O/c1-2-3-13-21-18(15-9-11-16(22)12-10-15)19-17(20-21)14-7-5-4-6-8-14/h4-12,22H,2-3,13H2,1H3
InChIKeyOSPMTAHEQRMBFJ-UHFFFAOYSA-N
XLogP4.12
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-butyl-5-phenyl-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 4-(2-butyl-5-phenyl-1,2,4-triazol-3-yl)phenol (CID 136783165) is 4-(2-butyl-5-phenyl-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 4-(2-butyl-5-phenyl-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 4-(2-butyl-5-phenyl-1,2,4-triazol-3-yl)phenol is CCCCn1nc(-c2ccccc2)nc1-c1ccc(O)cc1.
What is the InChIKey of 4-(2-butyl-5-phenyl-1,2,4-triazol-3-yl)phenol?
The InChIKey is OSPMTAHEQRMBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-3-13-21-18(15-9-11-16(22)12-10-15)19-17(20-21)14-7-5-4-6-8-14/h4-12,22H,2-3,13H2,1H3.
What are the key properties of 4-(2-butyl-5-phenyl-1,2,4-triazol-3-yl)phenol?
4-(2-butyl-5-phenyl-1,2,4-triazol-3-yl)phenol has a molecular weight of 293.37 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butyl-5-phenyl-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 136783165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).