5,7-dimethyl-6-(2-methylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C12H15F3N4 — CID 146424564

IUPAC5,7-dimethyl-6-(2-methylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CC(C)C
InChIInChI=1S/C12H15F3N4/c1-6(2)5-9-7(3)16-11-17-10(12(13,14)15)18-19(11)8(9)4/h6H,5H2,1-4H3
InChIKeyJWJYFRUUJKHWDB-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.96
Rot. Bonds2

About 5,7-dimethyl-6-(2-methylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dimethyl-6-(2-methylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 146424564) has the molecular formula C12H15F3N4 and a molecular weight of 272.27 g/mol. Its IUPAC name is 5,7-dimethyl-6-(2-methylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-6-(2-methylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID146424564
Molecular FormulaC12H15F3N4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC Name5,7-dimethyl-6-(2-methylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CC(C)C
InChIInChI=1S/C12H15F3N4/c1-6(2)5-9-7(3)16-11-17-10(12(13,14)15)18-19(11)8(9)4/h6H,5H2,1-4H3
InChIKeyJWJYFRUUJKHWDB-UHFFFAOYSA-N
XLogP2.96
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-Methyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline
CID 1481962
5-Methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2821597
Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, 7-ethyl-8-methyl-, hydrochloride, hydrate
CID 3054720
2-Ethyl-3,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 4568581
5-Tert-butyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2971734
2-Ethyl-3,5,6,7-tetramethyl-pyrazolo[1,5-a]pyrimidine
CID 703981
5-Cyclopropyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 843690
5-Cyclopropyl-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 843842
5,7-Dimethyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 162403043
2-(3,5-Dimethyl-4-propylpyrazol-1-yl)-4,6-dimethylpyrimidine
CID 13880928
2-[3,5-Dimethyl-4-(2-methylpropyl)pyrazol-1-yl]-4,6-dimethylpyrimidine
CID 13880930
4,5,6-Trimethyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidine
CID 13880932

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-(2-methylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-6-(2-methylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 146424564) is 5,7-dimethyl-6-(2-methylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-6-(2-methylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-6-(2-methylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(C)C.
What is the InChIKey of 5,7-dimethyl-6-(2-methylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is JWJYFRUUJKHWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4/c1-6(2)5-9-7(3)16-11-17-10(12(13,14)15)18-19(11)8(9)4/h6H,5H2,1-4H3.
What are the key properties of 5,7-dimethyl-6-(2-methylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-6-(2-methylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 272.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-(2-methylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 146424564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).