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

C8H7F3N4O — CID 130287500

IUPAC7-methoxy-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(C)nc2nc(C(F)(F)F)nn12
InChIInChI=1S/C8H7F3N4O/c1-4-3-5(16-2)15-7(12-4)13-6(14-15)8(9,10)11/h3H,1-2H3
InChIKeyFADXNQAINAYJIM-UHFFFAOYSA-N
MW232.16 g/mol
LogP1.46
Rot. Bonds1

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

7-methoxy-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 130287500) has the molecular formula C8H7F3N4O and a molecular weight of 232.16 g/mol. Its IUPAC name is 7-methoxy-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-methoxy-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID130287500
Molecular FormulaC8H7F3N4O
Molecular Weight232.16 g/mol
Exact Mass232.06
IUPAC Name7-methoxy-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(C)nc2nc(C(F)(F)F)nn12
InChIInChI=1S/C8H7F3N4O/c1-4-3-5(16-2)15-7(12-4)13-6(14-15)8(9,10)11/h3H,1-2H3
InChIKeyFADXNQAINAYJIM-UHFFFAOYSA-N
XLogP1.46
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Epirizole
CID 3242
Dulcerozine
CID 87753
Pyrimidine, 4-methoxy-6-(5-methoxy-3-methylpyrazol-1-yl)-2-methyl-
CID 211219
5-(Chloromethyl)-7-ethoxy-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 25489712
7-Methoxy-5-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 2801036
5-Ethoxy-2-methyl-7-trifluoromethylpyrazolo-[1,5-a]pyrimidine
CID 42640735
3-Bromo-5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 42640736
7-Methoxy-5-methyl-2-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2801131
2-Tert-butyl-7-methoxy-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2821858
2-(3,5-Dimethylpyrazol-1-yl)-4-methoxy-6-methylpyrimidine
CID 3458206
2-(5-methoxy-3-methyl-1H-pyrazol-1-yl)-4,6-dimethylpyrimidine
CID 12771928
7-(Cyclopropylmethoxy)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 126954741

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-methoxy-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 130287500) is 7-methoxy-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-methoxy-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-methoxy-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is COc1cc(C)nc2nc(C(F)(F)F)nn12.
What is the InChIKey of 7-methoxy-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is FADXNQAINAYJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4O/c1-4-3-5(16-2)15-7(12-4)13-6(14-15)8(9,10)11/h3H,1-2H3.
What are the key properties of 7-methoxy-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-methoxy-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 232.16 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 130287500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).