7-(3,5-dimethylpyrazol-1-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C12H11F3N6 — CID 4908770

IUPAC7-(3,5-dimethylpyrazol-1-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(-n2nc(C)cc2C)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C12H11F3N6/c1-6-5-9(20-8(3)4-7(2)18-20)21-11(16-6)17-10(19-21)12(13,14)15/h4-5H,1-3H3
InChIKeyMWPHAGSPGXTWSR-UHFFFAOYSA-N
MW296.26 g/mol
LogP2.25
Rot. Bonds1

About 7-(3,5-dimethylpyrazol-1-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

7-(3,5-dimethylpyrazol-1-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 4908770) has the molecular formula C12H11F3N6 and a molecular weight of 296.26 g/mol. Its IUPAC name is 7-(3,5-dimethylpyrazol-1-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,5-dimethylpyrazol-1-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID4908770
Molecular FormulaC12H11F3N6
Molecular Weight296.26 g/mol
Exact Mass296.10
IUPAC Name7-(3,5-dimethylpyrazol-1-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(-n2nc(C)cc2C)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C12H11F3N6/c1-6-5-9(20-8(3)4-7(2)18-20)21-11(16-6)17-10(19-21)12(13,14)15/h4-5H,1-3H3
InChIKeyMWPHAGSPGXTWSR-UHFFFAOYSA-N
XLogP2.25
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.26
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylpyrazol-1-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,5-dimethylpyrazol-1-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 4908770) is 7-(3,5-dimethylpyrazol-1-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,5-dimethylpyrazol-1-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,5-dimethylpyrazol-1-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(-n2nc(C)cc2C)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 7-(3,5-dimethylpyrazol-1-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is MWPHAGSPGXTWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N6/c1-6-5-9(20-8(3)4-7(2)18-20)21-11(16-6)17-10(19-21)12(13,14)15/h4-5H,1-3H3.
What are the key properties of 7-(3,5-dimethylpyrazol-1-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(3,5-dimethylpyrazol-1-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 296.26 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylpyrazol-1-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4908770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).