1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine

C13H15ClFN5 — CID 102794407

IUPAC1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2n[nH]c(-c3c(F)cccc3Cl)n2)C1
InChIInChI=1S/C13H15ClFN5/c14-9-4-1-5-10(15)11(9)12-17-13(19-18-12)20-6-2-3-8(16)7-20/h1,4-5,8H,2-3,6-7,16H2,(H,17,18,19)
InChIKeyAUOKSAKJCGVJSG-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.19
Rot. Bonds2

About 1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine

1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (PubChem CID 102794407) has the molecular formula C13H15ClFN5 and a molecular weight of 295.75 g/mol. Its IUPAC name is 1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
PubChem CID102794407
Molecular FormulaC13H15ClFN5
Molecular Weight295.75 g/mol
Exact Mass295.10
IUPAC Name1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2n[nH]c(-c3c(F)cccc3Cl)n2)C1
InChIInChI=1S/C13H15ClFN5/c14-9-4-1-5-10(15)11(9)12-17-13(19-18-12)20-6-2-3-8(16)7-20/h1,4-5,8H,2-3,6-7,16H2,(H,17,18,19)
InChIKeyAUOKSAKJCGVJSG-UHFFFAOYSA-N
XLogP2.19
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine 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-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The IUPAC name of 1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (CID 102794407) is 1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The canonical SMILES for 1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is NC1CCCN(c2n[nH]c(-c3c(F)cccc3Cl)n2)C1.
What is the InChIKey of 1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The InChIKey is AUOKSAKJCGVJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN5/c14-9-4-1-5-10(15)11(9)12-17-13(19-18-12)20-6-2-3-8(16)7-20/h1,4-5,8H,2-3,6-7,16H2,(H,17,18,19).
What are the key properties of 1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine has a molecular weight of 295.75 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 102794407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).