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

C12H17F3N4 — CID 174285807

IUPAC4-[[3-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine
SMILESFC(F)(F)C1(c2n[nH]c(CC3CCNCC3)n2)CC1
InChIInChI=1S/C12H17F3N4/c13-12(14,15)11(3-4-11)10-17-9(18-19-10)7-8-1-5-16-6-2-8/h8,16H,1-7H2,(H,17,18,19)
InChIKeyLKAZRPTWXKJBIQ-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.94
Rot. Bonds3

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

4-[[3-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine (PubChem CID 174285807) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-[[3-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[3-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine
PubChem CID174285807
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name4-[[3-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine
SMILESFC(F)(F)C1(c2n[nH]c(CC3CCNCC3)n2)CC1
InChIInChI=1S/C12H17F3N4/c13-12(14,15)11(3-4-11)10-17-9(18-19-10)7-8-1-5-16-6-2-8/h8,16H,1-7H2,(H,17,18,19)
InChIKeyLKAZRPTWXKJBIQ-UHFFFAOYSA-N
XLogP1.94
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine
CID 47003211
4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine
CID 53192491
4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 47002730
3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 61279544
4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine hydrochloride
CID 71758195
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine hydrochloride
CID 47003210
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine
CID 53192256
3-(piperidin-4-yl)-1H-1,2,4-triazol-5-amine
CID 61320156
3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidine
CID 61336802
4-(3-ethyl-1H-1,2,4-triazol-5-yl)piperidine dihydrochloride
CID 155858502
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine
CID 53192060
3-cyclopropyl-5-(pyrrolidin-3-ylmethyl)-4H-1,2,4-triazole
CID 65978799

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine?
The IUPAC name of 4-[[3-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine (CID 174285807) is 4-[[3-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine.
What is the SMILES notation for 4-[[3-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine?
The canonical SMILES for 4-[[3-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine is FC(F)(F)C1(c2n[nH]c(CC3CCNCC3)n2)CC1.
What is the InChIKey of 4-[[3-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine?
The InChIKey is LKAZRPTWXKJBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c13-12(14,15)11(3-4-11)10-17-9(18-19-10)7-8-1-5-16-6-2-8/h8,16H,1-7H2,(H,17,18,19).
What are the key properties of 4-[[3-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine?
4-[[3-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine has a molecular weight of 274.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine is sourced from PubChem (CID 174285807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).