1-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]ethanol

C13H16F3N5O — CID 133397897

IUPAC1-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]ethanol
SMILESCC(O)C1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1
InChIInChI=1S/C13H16F3N5O/c1-8(22)9-3-2-4-20(6-9)11-5-10(13(14,15)16)19-12-17-7-18-21(11)12/h5,7-9,22H,2-4,6H2,1H3
InChIKeyDFMFUQFZQHYTCC-UHFFFAOYSA-N
MW315.30 g/mol
LogP1.74
Rot. Bonds2

About 1-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]ethanol

1-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]ethanol (PubChem CID 133397897) has the molecular formula C13H16F3N5O and a molecular weight of 315.30 g/mol. Its IUPAC name is 1-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]ethanol
PubChem CID133397897
Molecular FormulaC13H16F3N5O
Molecular Weight315.30 g/mol
Exact Mass315.13
IUPAC Name1-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]ethanol
SMILESCC(O)C1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1
InChIInChI=1S/C13H16F3N5O/c1-8(22)9-3-2-4-20(6-9)11-5-10(13(14,15)16)19-12-17-7-18-21(11)12/h5,7-9,22H,2-4,6H2,1H3
InChIKeyDFMFUQFZQHYTCC-UHFFFAOYSA-N
XLogP1.74
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]ethanol (CID 133397897) is 1-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]ethanol is CC(O)C1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1.
What is the InChIKey of 1-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]ethanol?
The InChIKey is DFMFUQFZQHYTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O/c1-8(22)9-3-2-4-20(6-9)11-5-10(13(14,15)16)19-12-17-7-18-21(11)12/h5,7-9,22H,2-4,6H2,1H3.
What are the key properties of 1-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]ethanol?
1-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]ethanol has a molecular weight of 315.30 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]ethanol is sourced from PubChem (CID 133397897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).