[4-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol

C13H17N3O — CID 113301762

IUPAC[4-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol
SMILESCc1cc(C)c(-c2nnc(CO)n2C)c(C)c1
InChIInChI=1S/C13H17N3O/c1-8-5-9(2)12(10(3)6-8)13-15-14-11(7-17)16(13)4/h5-6,17H,7H2,1-4H3
InChIKeyVFOQAVHAVIXUSL-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.90
Rot. Bonds2

About [4-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol

[4-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 113301762) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [4-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol
PubChem CID113301762
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[4-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol
SMILESCc1cc(C)c(-c2nnc(CO)n2C)c(C)c1
InChIInChI=1S/C13H17N3O/c1-8-5-9(2)12(10(3)6-8)13-15-14-11(7-17)16(13)4/h5-6,17H,7H2,1-4H3
InChIKeyVFOQAVHAVIXUSL-UHFFFAOYSA-N
XLogP1.90
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-tert-butyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol
CID 115396470
[5-(2,6-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 115396918
[5-(2-fluoro-3-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 115397022
[4-methyl-5-(2-methyl-4-nitrophenyl)-1,2,4-triazol-3-yl]methanol
CID 113301758
[4-methyl-5-[2-(methylamino)-4-pyridinyl]-1,2,4-triazol-3-yl]methanol
CID 150643596
[5-(2-chloro-6-nitrophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 113301772
[4-tert-butyl-5-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methanol
CID 115396506
[5-(2,5-dimethylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301734
[4-tert-butyl-5-(3-chloro-5-methylphenyl)-1,2,4-triazol-3-yl]methanol
CID 115396521
[5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395828
[5-(4-chloro-2-nitrophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 113301756
[5-(2-fluoro-4-nitrophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 115396945

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol (CID 113301762) is [4-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol is Cc1cc(C)c(-c2nnc(CO)n2C)c(C)c1.
What is the InChIKey of [4-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is VFOQAVHAVIXUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8-5-9(2)12(10(3)6-8)13-15-14-11(7-17)16(13)4/h5-6,17H,7H2,1-4H3.
What are the key properties of [4-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol?
[4-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 231.30 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 113301762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).