5-methyl-2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C12H18F3N5 — CID 136837399

IUPAC5-methyl-2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC1CC(C(F)(F)F)n2nc(N3CCCCC3)nc2N1
InChIInChI=1S/C12H18F3N5/c1-8-7-9(12(13,14)15)20-10(16-8)17-11(18-20)19-5-3-2-4-6-19/h8-9H,2-7H2,1H3,(H,16,17,18)
InChIKeyZWXKTHUAWNWKNC-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.58
Rot. Bonds1

About 5-methyl-2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136837399) has the molecular formula C12H18F3N5 and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-methyl-2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136837399
Molecular FormulaC12H18F3N5
Molecular Weight289.31 g/mol
Exact Mass289.15
IUPAC Name5-methyl-2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC1CC(C(F)(F)F)n2nc(N3CCCCC3)nc2N1
InChIInChI=1S/C12H18F3N5/c1-8-7-9(12(13,14)15)20-10(16-8)17-11(18-20)19-5-3-2-4-6-19/h8-9H,2-7H2,1H3,(H,16,17,18)
InChIKeyZWXKTHUAWNWKNC-UHFFFAOYSA-N
XLogP2.58
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136837399) is 5-methyl-2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is CC1CC(C(F)(F)F)n2nc(N3CCCCC3)nc2N1.
What is the InChIKey of 5-methyl-2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ZWXKTHUAWNWKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5/c1-8-7-9(12(13,14)15)20-10(16-8)17-11(18-20)19-5-3-2-4-6-19/h8-9H,2-7H2,1H3,(H,16,17,18).
What are the key properties of 5-methyl-2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 289.31 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136837399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).