7-piperidin-3-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride

C11H13ClF3N5 — CID 46737117

IUPAC7-piperidin-3-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1nc2nccc(C3CCCNC3)n2n1
InChIInChI=1S/C11H12F3N5.ClH/c12-11(13,14)9-17-10-16-5-3-8(19(10)18-9)7-2-1-4-15-6-7;/h3,5,7,15H,1-2,4,6H2;1H
InChIKeyUXCPUILQOJYZBG-UHFFFAOYSA-N
MW307.71 g/mol
LogP2.03
Rot. Bonds1

About 7-piperidin-3-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride

7-piperidin-3-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride (PubChem CID 46737117) has the molecular formula C11H13ClF3N5 and a molecular weight of 307.71 g/mol. Its IUPAC name is 7-piperidin-3-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride.

Molecular Properties

Compound Name7-piperidin-3-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride
PubChem CID46737117
Molecular FormulaC11H13ClF3N5
Molecular Weight307.71 g/mol
Exact Mass307.08
IUPAC Name7-piperidin-3-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1nc2nccc(C3CCCNC3)n2n1
InChIInChI=1S/C11H12F3N5.ClH/c12-11(13,14)9-17-10-16-5-3-8(19(10)18-9)7-2-1-4-15-6-7;/h3,5,7,15H,1-2,4,6H2;1H
InChIKeyUXCPUILQOJYZBG-UHFFFAOYSA-N
XLogP2.03
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-piperidin-3-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride 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

1H-pyrazol-5-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
CID 95797653
2-thiophen-3-yl-1-[3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone
CID 110214093
5-piperidin-3-ylimidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 103200838
2-methoxy-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]acetamide
CID 98065966
7-piperidin-3-yl-2-propylpyrazolo[1,5-a]pyrimidine
CID 103315962
2-(2-methylpropyl)-7-piperidin-3-ylpyrazolo[1,5-a]pyrimidine
CID 103316447
3-(2-tert-butylpyrazol-3-yl)piperidine
CID 83392631
(3R)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074264
(3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074262
7-piperidin-3-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 24865424
7-pyridin-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66491471
2-methyl-3-[(E)-2-phenylethenyl]-7-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine
CID 167436062

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-3-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride?
The IUPAC name of 7-piperidin-3-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride (CID 46737117) is 7-piperidin-3-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride.
What is the SMILES notation for 7-piperidin-3-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride?
The canonical SMILES for 7-piperidin-3-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride is Cl.FC(F)(F)c1nc2nccc(C3CCCNC3)n2n1.
What is the InChIKey of 7-piperidin-3-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride?
The InChIKey is UXCPUILQOJYZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5.ClH/c12-11(13,14)9-17-10-16-5-3-8(19(10)18-9)7-2-1-4-15-6-7;/h3,5,7,15H,1-2,4,6H2;1H.
What are the key properties of 7-piperidin-3-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride?
7-piperidin-3-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride has a molecular weight of 307.71 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-3-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride is sourced from PubChem (CID 46737117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).