4-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]piperidine

C9H13F3N4 — CID 52988033

IUPAC4-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]piperidine
SMILESCc1nnc(C(F)(F)F)n1C1CCNCC1
InChIInChI=1S/C9H13F3N4/c1-6-14-15-8(9(10,11)12)16(6)7-2-4-13-5-3-7/h7,13H,2-5H2,1H3
InChIKeyUPODIGMPRMAXLI-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.53
Rot. Bonds1

About 4-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]piperidine

4-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]piperidine (PubChem CID 52988033) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]piperidine
PubChem CID52988033
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name4-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]piperidine
SMILESCc1nnc(C(F)(F)F)n1C1CCNCC1
InChIInChI=1S/C9H13F3N4/c1-6-14-15-8(9(10,11)12)16(6)7-2-4-13-5-3-7/h7,13H,2-5H2,1H3
InChIKeyUPODIGMPRMAXLI-UHFFFAOYSA-N
XLogP1.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]piperidine 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 4-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]piperidine?
The IUPAC name of 4-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]piperidine (CID 52988033) is 4-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]piperidine?
The canonical SMILES for 4-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]piperidine is Cc1nnc(C(F)(F)F)n1C1CCNCC1.
What is the InChIKey of 4-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]piperidine?
The InChIKey is UPODIGMPRMAXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-6-14-15-8(9(10,11)12)16(6)7-2-4-13-5-3-7/h7,13H,2-5H2,1H3.
What are the key properties of 4-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]piperidine?
4-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]piperidine has a molecular weight of 234.22 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]piperidine is sourced from PubChem (CID 52988033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).