1-(5,5,5-trifluoropentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine

C10H15F3N4 — CID 113328191

IUPAC1-(5,5,5-trifluoropentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
SMILESFC(F)(F)CCCCn1nnc2c1CCNC2
InChIInChI=1S/C10H15F3N4/c11-10(12,13)4-1-2-6-17-9-3-5-14-7-8(9)15-16-17/h14H,1-7H2
InChIKeyNJUJJHYEOKESIX-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.66
Rot. Bonds4

About 1-(5,5,5-trifluoropentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine

1-(5,5,5-trifluoropentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine (PubChem CID 113328191) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-(5,5,5-trifluoropentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(5,5,5-trifluoropentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
PubChem CID113328191
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name1-(5,5,5-trifluoropentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
SMILESFC(F)(F)CCCCn1nnc2c1CCNC2
InChIInChI=1S/C10H15F3N4/c11-10(12,13)4-1-2-6-17-9-3-5-14-7-8(9)15-16-17/h14H,1-7H2
InChIKeyNJUJJHYEOKESIX-UHFFFAOYSA-N
XLogP1.66
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(5,5,5-trifluoropentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine 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-(5,5,5-trifluoropentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The IUPAC name of 1-(5,5,5-trifluoropentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine (CID 113328191) is 1-(5,5,5-trifluoropentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine.
What is the SMILES notation for 1-(5,5,5-trifluoropentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The canonical SMILES for 1-(5,5,5-trifluoropentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine is FC(F)(F)CCCCn1nnc2c1CCNC2.
What is the InChIKey of 1-(5,5,5-trifluoropentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The InChIKey is NJUJJHYEOKESIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c11-10(12,13)4-1-2-6-17-9-3-5-14-7-8(9)15-16-17/h14H,1-7H2.
What are the key properties of 1-(5,5,5-trifluoropentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
1-(5,5,5-trifluoropentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine has a molecular weight of 248.25 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5,5-trifluoropentyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine is sourced from PubChem (CID 113328191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).