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

C8H12F3N5 — CID 102794324

IUPAC1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2n[nH]c(C(F)(F)F)n2)C1
InChIInChI=1S/C8H12F3N5/c9-8(10,11)6-13-7(15-14-6)16-3-1-2-5(12)4-16/h5H,1-4,12H2,(H,13,14,15)
InChIKeyMGXJLAXQRXHLMQ-UHFFFAOYSA-N
MW235.21 g/mol
LogP0.75
Rot. Bonds1

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

1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (PubChem CID 102794324) has the molecular formula C8H12F3N5 and a molecular weight of 235.21 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
PubChem CID102794324
Molecular FormulaC8H12F3N5
Molecular Weight235.21 g/mol
Exact Mass235.10
IUPAC Name1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2n[nH]c(C(F)(F)F)n2)C1
InChIInChI=1S/C8H12F3N5/c9-8(10,11)6-13-7(15-14-6)16-3-1-2-5(12)4-16/h5H,1-4,12H2,(H,13,14,15)
InChIKeyMGXJLAXQRXHLMQ-UHFFFAOYSA-N
XLogP0.75
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-(trifluoromethyl)-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

Related Compounds

[1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799873
2-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-ol
CID 102794172
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 155290360
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 102794256
1-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanol
CID 102794422
1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794159
1-[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794449
1-[5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794171
1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794407
1-[5-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794368
1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794393
1-[5-(5-methyl-1,2-oxazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794153

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The IUPAC name of 1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (CID 102794324) is 1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The canonical SMILES for 1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is NC1CCCN(c2n[nH]c(C(F)(F)F)n2)C1.
What is the InChIKey of 1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The InChIKey is MGXJLAXQRXHLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5/c9-8(10,11)6-13-7(15-14-6)16-3-1-2-5(12)4-16/h5H,1-4,12H2,(H,13,14,15).
What are the key properties of 1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine has a molecular weight of 235.21 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 102794324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).