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

C12H15F3N6 — CID 35416966

IUPAC5-methyl-7-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(C)CC2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C12H15F3N6/c1-8-7-9(20-5-3-19(2)4-6-20)21-11(16-8)17-10(18-21)12(13,14)15/h7H,3-6H2,1-2H3
InChIKeyOEYFUIBJWFDBBT-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.20
Rot. Bonds1

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

5-methyl-7-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 35416966) has the molecular formula C12H15F3N6 and a molecular weight of 300.29 g/mol. Its IUPAC name is 5-methyl-7-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID35416966
Molecular FormulaC12H15F3N6
Molecular Weight300.29 g/mol
Exact Mass300.13
IUPAC Name5-methyl-7-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(C)CC2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C12H15F3N6/c1-8-7-9(20-5-3-19(2)4-6-20)21-11(16-8)17-10(18-21)12(13,14)15/h7H,3-6H2,1-2H3
InChIKeyOEYFUIBJWFDBBT-UHFFFAOYSA-N
XLogP1.20
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 35416966) is 5-methyl-7-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(C)CC2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 5-methyl-7-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is OEYFUIBJWFDBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N6/c1-8-7-9(20-5-3-19(2)4-6-20)21-11(16-8)17-10(18-21)12(13,14)15/h7H,3-6H2,1-2H3.
What are the key properties of 5-methyl-7-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 300.29 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 35416966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).