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

C10H10F3N5 — CID 84805518

IUPAC6-pyrrolidin-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1nc2ncc(C3CCCN3)cn2n1
InChIInChI=1S/C10H10F3N5/c11-10(12,13)8-16-9-15-4-6(5-18(9)17-8)7-2-1-3-14-7/h4-5,7,14H,1-3H2
InChIKeySPRDQPYNMAONRQ-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.57
Rot. Bonds1

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

6-pyrrolidin-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 84805518) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is 6-pyrrolidin-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-pyrrolidin-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID84805518
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC Name6-pyrrolidin-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1nc2ncc(C3CCCN3)cn2n1
InChIInChI=1S/C10H10F3N5/c11-10(12,13)8-16-9-15-4-6(5-18(9)17-8)7-2-1-3-14-7/h4-5,7,14H,1-3H2
InChIKeySPRDQPYNMAONRQ-UHFFFAOYSA-N
XLogP1.57
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
N-[(1R)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 172472294
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-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-pyrrolidin-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 84805518) is 6-pyrrolidin-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-pyrrolidin-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-pyrrolidin-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)(F)c1nc2ncc(C3CCCN3)cn2n1.
What is the InChIKey of 6-pyrrolidin-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is SPRDQPYNMAONRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c11-10(12,13)8-16-9-15-4-6(5-18(9)17-8)7-2-1-3-14-7/h4-5,7,14H,1-3H2.
What are the key properties of 6-pyrrolidin-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
6-pyrrolidin-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 257.22 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 84805518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).