2-methyl-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol

C15H21N3O — CID 104846308

IUPAC2-methyl-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCC(Cc1ncnn1C(C)C)C(O)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-11(2)18-14(16-10-17-18)9-12(3)15(19)13-7-5-4-6-8-13/h4-8,10-12,15,19H,9H2,1-3H3
InChIKeyKLZQLFBMCFYIEJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.77
Rot. Bonds5

About 2-methyl-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol

2-methyl-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol (PubChem CID 104846308) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methyl-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
PubChem CID104846308
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-methyl-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCC(Cc1ncnn1C(C)C)C(O)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-11(2)18-14(16-10-17-18)9-12(3)15(19)13-7-5-4-6-8-13/h4-8,10-12,15,19H,9H2,1-3H3
InChIKeyKLZQLFBMCFYIEJ-UHFFFAOYSA-N
XLogP2.77
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-2-phenylpropyl)-1-propan-2-yl-1,2,4-triazole
CID 66035466
3-phenyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one
CID 114029038
1-(4-methylsulfanylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 115813779
1-(2,6-difluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 115813882
1-methoxy-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
CID 116751556
1-(2-propan-2-yl-1,2,4-triazol-3-yl)hexane-2,3-diol
CID 103454995
(2S)-2-amino-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propanoic acid
CID 106702633
1-(2-methoxy-3-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 105107858
2-(2-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
CID 79449251
[1-(3-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105317276
1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 82729587
3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol
CID 79055699

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
The IUPAC name of 2-methyl-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol (CID 104846308) is 2-methyl-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
The canonical SMILES for 2-methyl-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol is CC(Cc1ncnn1C(C)C)C(O)c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
The InChIKey is KLZQLFBMCFYIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)18-14(16-10-17-18)9-12(3)15(19)13-7-5-4-6-8-13/h4-8,10-12,15,19H,9H2,1-3H3.
What are the key properties of 2-methyl-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
2-methyl-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol is sourced from PubChem (CID 104846308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).