6-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C11H12F3N5 — CID 84809348

IUPAC6-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1nc2ncc(CC3CCCN3)cn2n1
InChIInChI=1S/C11H12F3N5/c12-11(13,14)9-17-10-16-5-7(6-19(10)18-9)4-8-2-1-3-15-8/h5-6,8,15H,1-4H2
InChIKeyYFUDCZJSRNPXKH-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.44
Rot. Bonds2

About 6-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

6-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 84809348) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is 6-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID84809348
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name6-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1nc2ncc(CC3CCCN3)cn2n1
InChIInChI=1S/C11H12F3N5/c12-11(13,14)9-17-10-16-5-7(6-19(10)18-9)4-8-2-1-3-15-8/h5-6,8,15H,1-4H2
InChIKeyYFUDCZJSRNPXKH-UHFFFAOYSA-N
XLogP1.44
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine 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

5-ethyl-2-methyl-N-[1-(1-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 50964673
3-((1,2,4)Triazolo(1,5-a)pyrimidin-6-yl)propan-1-amine dihydrochloride
CID 91623794
(2S,3R)-1-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 97470964
8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 68940652
N-(fluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 141267635
N-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 142791630
2-(1-Methylpyrazol-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 142794012
6-(2-Azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 170784833
6-(2-Azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 170785052
3-(2-Azaspiro[3.3]heptan-6-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 171533004
3-(Piperidin-4-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 174285978
3-{[1,2,4]Triazolo[1,5-a]pyrimidin-6-yl}propan-1-amine
CID 71778069

Frequently Asked Questions

What is the IUPAC name of 6-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 84809348) is 6-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)(F)c1nc2ncc(CC3CCCN3)cn2n1.
What is the InChIKey of 6-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is YFUDCZJSRNPXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c12-11(13,14)9-17-10-16-5-7(6-19(10)18-9)4-8-2-1-3-15-8/h5-6,8,15H,1-4H2.
What are the key properties of 6-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
6-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 271.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 84809348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).