5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C11H12F3N5 — CID 4902029

IUPAC5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCC2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C11H12F3N5/c1-7-6-8(18-4-2-3-5-18)19-10(15-7)16-9(17-19)11(12,13)14/h6H,2-5H2,1H3
InChIKeyYMBHYAFOSVYPRI-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.05
Rot. Bonds1

About 5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 4902029) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is 5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID4902029
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCC2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C11H12F3N5/c1-7-6-8(18-4-2-3-5-18)19-10(15-7)16-9(17-19)11(12,13)14/h6H,2-5H2,1H3
InChIKeyYMBHYAFOSVYPRI-UHFFFAOYSA-N
XLogP2.05
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Trapidil
CID 5531
7-Methyl-2-(trifluoromethyl)-(1,2,4)triazolo(1,5-a)pyrimidin-5-amine
CID 2423937
5-Methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 2376946
LA 2851
CID 68910
5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine
CID 165415449
2,5-Dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 753093
4-[5-Methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 4906205
5,7-dimethyl-2-{2-[5-pyrrolidin-1-yl-2-(2,2,2-trifluoro-ethyl)-2H-[1,2,4]triazol-3-yl]-ethyl}-[1,2,4]triazolo[1,5-a]pyrimidine
CID 72704535
5,7-Dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 72705089
6-(1-Pyrrolidinyl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 1476857
2,5-Dimethyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 5308906
N1,N1-diethyl-N4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentane-1,4-diamine
CID 71596120

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 4902029) is 5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCCC2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is YMBHYAFOSVYPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c1-7-6-8(18-4-2-3-5-18)19-10(15-7)16-9(17-19)11(12,13)14/h6H,2-5H2,1H3.
What are the key properties of 5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 271.25 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4902029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).