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

C10H7F3N6 — CID 35417569

IUPAC7-imidazol-1-yl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(-n2ccnc2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C10H7F3N6/c1-6-4-7(18-3-2-14-5-18)19-9(15-6)16-8(17-19)10(11,12)13/h2-5H,1H3
InChIKeyXARQOVOFPFJLHN-UHFFFAOYSA-N
MW268.20 g/mol
LogP1.64
Rot. Bonds1

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

7-imidazol-1-yl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 35417569) has the molecular formula C10H7F3N6 and a molecular weight of 268.20 g/mol. Its IUPAC name is 7-imidazol-1-yl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-imidazol-1-yl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID35417569
Molecular FormulaC10H7F3N6
Molecular Weight268.20 g/mol
Exact Mass268.07
IUPAC Name7-imidazol-1-yl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(-n2ccnc2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C10H7F3N6/c1-6-4-7(18-3-2-14-5-18)19-9(15-6)16-8(17-19)10(11,12)13/h2-5H,1H3
InChIKeyXARQOVOFPFJLHN-UHFFFAOYSA-N
XLogP1.64
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-Dimethyl-2-(2-(6-(pyrrolidin-1-yl)pyrazin-2-yl)ethyl)-[1,2,4]triazolo-[1,5-a]pyrimidine
CID 72706927
6-(1H-imidazol-1-yl)-3-(pentafluoroethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 1521583
6-(1H-imidazol-1-yl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 713378
6-(3,5-Dimethylpyrazolyl)-3-imidazolylpyridazine
CID 2998404
5,6-Dimethyl-2-(1-methylimidazol-2-yl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 73945499
5-Methyl-7-(pyrrolidin-1-yl)-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4902029
5-Methyl-7-pyrrol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71595886
5-Methyl-7-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71596496
2-Methylpyrazolo(1,5-a)pyrimidin-3-amine hydrochloride
CID 146154023
5-Methyl-7-(1,2,4-triazolyl)-8-hydro-1,2,4-triazolo[1,5-a]pyrimidine
CID 3658641
N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(1-methyl-1H-1,2,4-triazol-5-yl)pyrimidin-2-amine
CID 45190722
6-N-[(2-ethylpyrazol-3-yl)methyl]-6-N,8,9-trimethylpurine-2,6-diamine
CID 52422232

Frequently Asked Questions

What is the IUPAC name of 7-imidazol-1-yl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-imidazol-1-yl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 35417569) is 7-imidazol-1-yl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-imidazol-1-yl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-imidazol-1-yl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(-n2ccnc2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 7-imidazol-1-yl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is XARQOVOFPFJLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N6/c1-6-4-7(18-3-2-14-5-18)19-9(15-6)16-8(17-19)10(11,12)13/h2-5H,1H3.
What are the key properties of 7-imidazol-1-yl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-imidazol-1-yl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 268.20 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imidazol-1-yl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 35417569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).