(2R)-1-[3-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-1-yl]butan-2-ol

C16H23N3O — CID 97116467

IUPAC(2R)-1-[3-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-1-yl]butan-2-ol
SMILESCC[C@@H](O)Cn1nc(C)nc1CCc1ccc(C)cc1
InChIInChI=1S/C16H23N3O/c1-4-15(20)11-19-16(17-13(3)18-19)10-9-14-7-5-12(2)6-8-14/h5-8,15,20H,4,9-11H2,1-3H3/t15-/m1/s1
InChIKeyHJKOJTBUPOEHRL-OAHLLOKOSA-N
MW273.38 g/mol
LogP2.45
Rot. Bonds6

About (2R)-1-[3-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-1-yl]butan-2-ol

(2R)-1-[3-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-1-yl]butan-2-ol (PubChem CID 97116467) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (2R)-1-[3-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[3-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-1-yl]butan-2-ol
PubChem CID97116467
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(2R)-1-[3-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-1-yl]butan-2-ol
SMILESCC[C@@H](O)Cn1nc(C)nc1CCc1ccc(C)cc1
InChIInChI=1S/C16H23N3O/c1-4-15(20)11-19-16(17-13(3)18-19)10-9-14-7-5-12(2)6-8-14/h5-8,15,20H,4,9-11H2,1-3H3/t15-/m1/s1
InChIKeyHJKOJTBUPOEHRL-OAHLLOKOSA-N
XLogP2.45
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[3-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-1-yl]butan-2-ol with MolForge

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Related Compounds

1-[3-(2-methylpropyl)-5-(2-pyridin-3-ylethyl)-1,2,4-triazol-1-yl]butan-2-ol
CID 131924260
N-[[2-[(2R)-2-hydroxybutyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]acetamide
CID 97197721
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
(2S)-1-[3-(4-fluorophenyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-triazol-1-yl]butan-2-ol
CID 97434536
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
1-(5-methyl-3-propan-2-ylpyrazol-1-yl)butan-2-ol
CID 178165955
5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine
CID 62679998
5-ethyl-1-(4-methylphenyl)heptan-3-ol
CID 105122523
(2S)-1-[5-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(5-methylfuran-2-yl)-1,2,4-triazol-1-yl]butan-2-ol
CID 97445776
1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol
CID 131948641
1-(3,3-difluoropropyl)-4-methylbenzene
CID 142361339

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-1-yl]butan-2-ol?
The IUPAC name of (2R)-1-[3-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-1-yl]butan-2-ol (CID 97116467) is (2R)-1-[3-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-1-yl]butan-2-ol.
What is the SMILES notation for (2R)-1-[3-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-1-yl]butan-2-ol?
The canonical SMILES for (2R)-1-[3-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-1-yl]butan-2-ol is CC[C@@H](O)Cn1nc(C)nc1CCc1ccc(C)cc1.
What is the InChIKey of (2R)-1-[3-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-1-yl]butan-2-ol?
The InChIKey is HJKOJTBUPOEHRL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-15(20)11-19-16(17-13(3)18-19)10-9-14-7-5-12(2)6-8-14/h5-8,15,20H,4,9-11H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-1-[3-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-1-yl]butan-2-ol?
(2R)-1-[3-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-1-yl]butan-2-ol has a molecular weight of 273.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-1-yl]butan-2-ol is sourced from PubChem (CID 97116467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).