1-(2,5-dimethylphenyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol

C17H25N3O — CID 115814360

IUPAC1-(2,5-dimethylphenyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
SMILESCc1ccc(C)c(CC(O)Cc2ncnn2CC(C)C)c1
InChIInChI=1S/C17H25N3O/c1-12(2)10-20-17(18-11-19-20)9-16(21)8-15-7-13(3)5-6-14(15)4/h5-7,11-12,16,21H,8-10H2,1-4H3
InChIKeyWBIDRCIEKBEBJQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.70
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol

1-(2,5-dimethylphenyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol (PubChem CID 115814360) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
PubChem CID115814360
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(2,5-dimethylphenyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
SMILESCc1ccc(C)c(CC(O)Cc2ncnn2CC(C)C)c1
InChIInChI=1S/C17H25N3O/c1-12(2)10-20-17(18-11-19-20)9-16(21)8-15-7-13(3)5-6-14(15)4/h5-7,11-12,16,21H,8-10H2,1-4H3
InChIKeyWBIDRCIEKBEBJQ-UHFFFAOYSA-N
XLogP2.70
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-thiophen-3-ylpropan-2-ol
CID 105108239
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-5-methylsulfanylpentan-2-ol
CID 103089731
2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol
CID 66059154
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216913
1-(6-methoxypyrimidin-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 102950360
2-(2-methylphenyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propanoic acid
CID 79423998
1-(3-chloro-4-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104999957
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
1-(2,5-dimethylphenyl)-6-methylheptan-2-ol
CID 115830018
1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol
CID 79616300
5-[(5-fluoro-2-methylphenoxy)methyl]-1-(2-methylpropyl)-1,2,4-triazole
CID 102975462
1-(3-aminophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 106695869

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol (CID 115814360) is 1-(2,5-dimethylphenyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol is Cc1ccc(C)c(CC(O)Cc2ncnn2CC(C)C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol?
The InChIKey is WBIDRCIEKBEBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(2)10-20-17(18-11-19-20)9-16(21)8-15-7-13(3)5-6-14(15)4/h5-7,11-12,16,21H,8-10H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol?
1-(2,5-dimethylphenyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol has a molecular weight of 287.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol is sourced from PubChem (CID 115814360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).