3-chloro-2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine

C15H17ClF3N5 — CID 70759789

IUPAC3-chloro-2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESCn1cnnc1CC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C15H17ClF3N5/c1-23-9-21-22-13(23)6-10-2-4-24(5-3-10)14-12(16)7-11(8-20-14)15(17,18)19/h7-10H,2-6H2,1H3
InChIKeyKQOAHFCYXQKNJF-UHFFFAOYSA-N
MW359.78 g/mol
LogP3.34
Rot. Bonds3

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

3-chloro-2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine (PubChem CID 70759789) has the molecular formula C15H17ClF3N5 and a molecular weight of 359.78 g/mol. Its IUPAC name is 3-chloro-2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine
PubChem CID70759789
Molecular FormulaC15H17ClF3N5
Molecular Weight359.78 g/mol
Exact Mass359.11
IUPAC Name3-chloro-2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESCn1cnnc1CC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C15H17ClF3N5/c1-23-9-21-22-13(23)6-10-2-4-24(5-3-10)14-12(16)7-11(8-20-14)15(17,18)19/h7-10H,2-6H2,1H3
InChIKeyKQOAHFCYXQKNJF-UHFFFAOYSA-N
XLogP3.34
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-chloro-2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine 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

2-[4-(bromomethyl)piperidin-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 80669474
3-chloro-2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 42956348
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 55064792
2,5-dimethyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrazine
CID 138008520
(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 68801517
(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;hydrochloride
CID 71643949
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 133293899
methyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 2775349
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171994305
2-[3-(bromomethyl)piperidin-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 80673381
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N,2-dimethylpropanamide
CID 110208949
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(piperidin-4-ylmethyl)piperazine;hydrochloride
CID 120847374

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine (CID 70759789) is 3-chloro-2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine is Cn1cnnc1CC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 3-chloro-2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine?
The InChIKey is KQOAHFCYXQKNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3N5/c1-23-9-21-22-13(23)6-10-2-4-24(5-3-10)14-12(16)7-11(8-20-14)15(17,18)19/h7-10H,2-6H2,1H3.
What are the key properties of 3-chloro-2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine?
3-chloro-2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine has a molecular weight of 359.78 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 70759789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).