[5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol

C17H17N3O — CID 115395828

IUPAC[5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
SMILESCc1ccc(-c2nnc(CO)n2-c2ccccc2)c(C)c1
InChIInChI=1S/C17H17N3O/c1-12-8-9-15(13(2)10-12)17-19-18-16(11-21)20(17)14-6-4-3-5-7-14/h3-10,21H,11H2,1-2H3
InChIKeyDTBHKIWLNUTXJJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.04
Rot. Bonds3

About [5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol

[5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol (PubChem CID 115395828) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is [5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
PubChem CID115395828
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name[5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
SMILESCc1ccc(-c2nnc(CO)n2-c2ccccc2)c(C)c1
InChIInChI=1S/C17H17N3O/c1-12-8-9-15(13(2)10-12)17-19-18-16(11-21)20(17)14-6-4-3-5-7-14/h3-10,21H,11H2,1-2H3
InChIKeyDTBHKIWLNUTXJJ-UHFFFAOYSA-N
XLogP3.04
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol with MolForge

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Related Compounds

[4-tert-butyl-5-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methanol
CID 115396506
[5-(3-fluoro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395836
[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395824
[5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395862
[5-(2-chloro-3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
CID 115943836
3-(4-bromo-2-chlorophenyl)-5-(chloromethyl)-4-phenyl-1,2,4-triazole
CID 115397312
[5-(3-methylbutyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395785
[5-(cyclohexylmethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395849
[5-(3-chloro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
CID 115943875
3,5-bis(3-methylphenyl)-4-phenyl-1,2,4-triazole
CID 58390339
[5-(2,5-dimethylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301734
[5-(1-cyclopropylethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 83152356

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol (CID 115395828) is [5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol is Cc1ccc(-c2nnc(CO)n2-c2ccccc2)c(C)c1.
What is the InChIKey of [5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is DTBHKIWLNUTXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-8-9-15(13(2)10-12)17-19-18-16(11-21)20(17)14-6-4-3-5-7-14/h3-10,21H,11H2,1-2H3.
What are the key properties of [5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
[5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 279.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115395828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).