[5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol

C17H31N3O — CID 115397251

IUPAC[5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
SMILESCC(C)Cn1c(CO)nnc1C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H31N3O/c1-12(2)10-20-15(11-21)18-19-16(20)13-6-8-14(9-7-13)17(3,4)5/h12-14,21H,6-11H2,1-5H3
InChIKeyHHXFIEXHUVKZNU-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.75
Rot. Bonds4

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

[5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 115397251) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is [5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
PubChem CID115397251
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name[5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
SMILESCC(C)Cn1c(CO)nnc1C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H31N3O/c1-12(2)10-20-15(11-21)18-19-16(20)13-6-8-14(9-7-13)17(3,4)5/h12-14,21H,6-11H2,1-5H3
InChIKeyHHXFIEXHUVKZNU-UHFFFAOYSA-N
XLogP3.75
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 115944223
[5-cyclopropyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594183
3-(chloromethyl)-5-cycloheptyl-4-(2-methylpropyl)-1,2,4-triazole
CID 115398555
3-(4-tert-butylcyclohexyl)-5-(chloromethyl)-4-methyl-1,2,4-triazole
CID 115398397
3-(chloromethyl)-4-(2-methylpropyl)-5-(oxan-4-yl)-1,2,4-triazole
CID 115398570
3-(bromomethyl)-5-(4-tert-butylcyclohexyl)-4-cyclopropyl-1,2,4-triazole
CID 115399177
3-(3-bicyclo[3.1.0]hexanyl)-5-(chloromethyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115398672
3-(4-tert-butylcyclohexyl)-4-propan-2-yl-1,2,4-triazole
CID 113301075
(5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol
CID 115396998
[5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 115396745
[5-(ethoxymethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 115397142
[5-ethylsulfanyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 22938543

Frequently Asked Questions

What is the IUPAC name of [5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol (CID 115397251) is [5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol is CC(C)Cn1c(CO)nnc1C1CCC(C(C)(C)C)CC1.
What is the InChIKey of [5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is HHXFIEXHUVKZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-12(2)10-20-15(11-21)18-19-16(20)13-6-8-14(9-7-13)17(3,4)5/h12-14,21H,6-11H2,1-5H3.
What are the key properties of [5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
[5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 293.46 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115397251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).