(4-cyclohexyl-1,2,4-triazol-3-yl)boronic acid

C8H14BN3O2 — CID 172829194

IUPAC(4-cyclohexyl-1,2,4-triazol-3-yl)boronic acid
SMILESOB(O)c1nncn1C1CCCCC1
InChIInChI=1S/C8H14BN3O2/c13-9(14)8-11-10-6-12(8)7-4-2-1-3-5-7/h6-7,13-14H,1-5H2
InChIKeyVHDDRSAFRKRURD-UHFFFAOYSA-N
MW195.03 g/mol
LogP-0.54
Rot. Bonds2

About (4-cyclohexyl-1,2,4-triazol-3-yl)boronic acid

(4-cyclohexyl-1,2,4-triazol-3-yl)boronic acid (PubChem CID 172829194) has the molecular formula C8H14BN3O2 and a molecular weight of 195.03 g/mol. Its IUPAC name is (4-cyclohexyl-1,2,4-triazol-3-yl)boronic acid.

Molecular Properties

Compound Name(4-cyclohexyl-1,2,4-triazol-3-yl)boronic acid
PubChem CID172829194
Molecular FormulaC8H14BN3O2
Molecular Weight195.03 g/mol
Exact Mass195.12
IUPAC Name(4-cyclohexyl-1,2,4-triazol-3-yl)boronic acid
SMILESOB(O)c1nncn1C1CCCCC1
InChIInChI=1S/C8H14BN3O2/c13-9(14)8-11-10-6-12(8)7-4-2-1-3-5-7/h6-7,13-14H,1-5H2
InChIKeyVHDDRSAFRKRURD-UHFFFAOYSA-N
XLogP-0.54
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.03
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-cyclohexyl-1,2,4-triazol-3-amine
CID 62710575
4-cyclopentyl-1,2,4-triazole-3-carbaldehyde
CID 83873342
2-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-amine
CID 62710577
(1R,2R)-1-amino-1-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-ol
CID 94554751
4-cyclobutyl-1,2,4-triazole-3-carbaldehyde
CID 83872512
3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine
CID 62710235
1-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-methylpropan-2-amine
CID 64672693
1-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 64672496
[1-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopropyl]methanamine
CID 115451900
(1R,2R)-1-amino-1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-ol
CID 94554715
[1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine
CID 115444888
2-(4-cyclohexyl-1,2,4-triazol-3-yl)-5-fluoroaniline
CID 62709909

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexyl-1,2,4-triazol-3-yl)boronic acid?
The IUPAC name of (4-cyclohexyl-1,2,4-triazol-3-yl)boronic acid (CID 172829194) is (4-cyclohexyl-1,2,4-triazol-3-yl)boronic acid.
What is the SMILES notation for (4-cyclohexyl-1,2,4-triazol-3-yl)boronic acid?
The canonical SMILES for (4-cyclohexyl-1,2,4-triazol-3-yl)boronic acid is OB(O)c1nncn1C1CCCCC1.
What is the InChIKey of (4-cyclohexyl-1,2,4-triazol-3-yl)boronic acid?
The InChIKey is VHDDRSAFRKRURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BN3O2/c13-9(14)8-11-10-6-12(8)7-4-2-1-3-5-7/h6-7,13-14H,1-5H2.
What are the key properties of (4-cyclohexyl-1,2,4-triazol-3-yl)boronic acid?
(4-cyclohexyl-1,2,4-triazol-3-yl)boronic acid has a molecular weight of 195.03 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexyl-1,2,4-triazol-3-yl)boronic acid is sourced from PubChem (CID 172829194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).