[4-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanol

C16H23N3O — CID 115397117

IUPAC[4-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanol
SMILESCC(C)Cn1c(CO)nnc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H23N3O/c1-11(2)9-19-15(10-20)17-18-16(19)14-7-5-13(6-8-14)12(3)4/h5-8,11-12,20H,9-10H2,1-4H3
InChIKeyWLFNMYMBJCGXLR-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.22
Rot. Bonds5

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

[4-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 115397117) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [4-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanol
PubChem CID115397117
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[4-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanol
SMILESCC(C)Cn1c(CO)nnc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H23N3O/c1-11(2)9-19-15(10-20)17-18-16(19)14-7-5-13(6-8-14)12(3)4/h5-8,11-12,20H,9-10H2,1-4H3
InChIKeyWLFNMYMBJCGXLR-UHFFFAOYSA-N
XLogP3.22
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methylpropyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]methanol
CID 115397153
[5-(2,4-dichlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 115397101
[5-(5-chloro-2-methylphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 82890463
3-(chloromethyl)-5-(4-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113302170
[5-(3-bromo-2-methylphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 115397198
3-(chloromethyl)-5-(3-chloro-4-methylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115398606
[5-(4-propan-2-ylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 112593737
[5-(2-bromo-5-methylphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 115397245
[5-ethylsulfanyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 22938543
[5-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 115396895
[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334161
3-(bromomethyl)-5-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115400132

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanol (CID 115397117) is [4-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanol is CC(C)Cn1c(CO)nnc1-c1ccc(C(C)C)cc1.
What is the InChIKey of [4-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is WLFNMYMBJCGXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)9-19-15(10-20)17-18-16(19)14-7-5-13(6-8-14)12(3)4/h5-8,11-12,20H,9-10H2,1-4H3.
What are the key properties of [4-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanol?
[4-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 273.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115397117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).