ethane;5-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C19H23F3N6 — CID 145341902

IUPACethane;5-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC.Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n2ncnc2n1
InChIInChI=1S/C17H17F3N6.C2H6/c1-12-9-15(26-16(23-12)21-11-22-26)25-7-5-24(6-8-25)14-4-2-3-13(10-14)17(18,19)20;1-2/h2-4,9-11H,5-8H2,1H3;1-2H3
InChIKeyGMBYDLKKCFXSCH-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.80
Rot. Bonds2

About ethane;5-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

ethane;5-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 145341902) has the molecular formula C19H23F3N6 and a molecular weight of 392.43 g/mol. Its IUPAC name is ethane;5-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Nameethane;5-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID145341902
Molecular FormulaC19H23F3N6
Molecular Weight392.43 g/mol
Exact Mass392.19
IUPAC Nameethane;5-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC.Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n2ncnc2n1
InChIInChI=1S/C17H17F3N6.C2H6/c1-12-9-15(26-16(23-12)21-11-22-26)25-7-5-24(6-8-25)14-4-2-3-13(10-14)17(18,19)20;1-2/h2-4,9-11H,5-8H2,1H3;1-2H3
InChIKeyGMBYDLKKCFXSCH-UHFFFAOYSA-N
XLogP3.80
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 121184229
N-methyl-N-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 146074614
5-methyl-7-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163354019
2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120596320
7-[4-(2-chlorophenyl)-1,4-diazepan-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 122154137
5-methyl-7-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163356731
7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 6484700
7-(3,3-difluoropyrrolidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 122269226
4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139029314
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380
4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 122282293
2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine
CID 171334508

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of ethane;5-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 145341902) is ethane;5-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for ethane;5-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for ethane;5-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is CC.Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n2ncnc2n1.
What is the InChIKey of ethane;5-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is GMBYDLKKCFXSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6.C2H6/c1-12-9-15(26-16(23-12)21-11-22-26)25-7-5-24(6-8-25)14-4-2-3-13(10-14)17(18,19)20;1-2/h2-4,9-11H,5-8H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
ethane;5-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 392.43 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 145341902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).