[1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanol

C10H16F3N3O — CID 82206062

IUPAC[1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanol
SMILESCCCCCCn1nnc(CO)c1C(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-2-3-4-5-6-16-9(10(11,12)13)8(7-17)14-15-16/h17H,2-7H2,1H3
InChIKeyRPSZHTHCEXHOPQ-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.37
Rot. Bonds6

About [1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanol

[1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanol (PubChem CID 82206062) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is [1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanol
PubChem CID82206062
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name[1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanol
SMILESCCCCCCn1nnc(CO)c1C(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-2-3-4-5-6-16-9(10(11,12)13)8(7-17)14-15-16/h17H,2-7H2,1H3
InChIKeyRPSZHTHCEXHOPQ-UHFFFAOYSA-N
XLogP2.37
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanol?
The IUPAC name of [1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanol (CID 82206062) is [1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanol is CCCCCCn1nnc(CO)c1C(F)(F)F.
What is the InChIKey of [1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanol?
The InChIKey is RPSZHTHCEXHOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-2-3-4-5-6-16-9(10(11,12)13)8(7-17)14-15-16/h17H,2-7H2,1H3.
What are the key properties of [1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanol?
[1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanol has a molecular weight of 251.25 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82206062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).