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

C12H14F3N5O — CID 56814951

IUPAC[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1
InChIInChI=1S/C12H14F3N5O/c13-12(14,15)9-4-10(20-11(18-9)16-7-17-20)19-3-1-2-8(5-19)6-21/h4,7-8,21H,1-3,5-6H2
InChIKeyIFYXGQAGPOLNJK-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.35
Rot. Bonds2

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

[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol (PubChem CID 56814951) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is [1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
PubChem CID56814951
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC Name[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1
InChIInChI=1S/C12H14F3N5O/c13-12(14,15)9-4-10(20-11(18-9)16-7-17-20)19-3-1-2-8(5-19)6-21/h4,7-8,21H,1-3,5-6H2
InChIKeyIFYXGQAGPOLNJK-UHFFFAOYSA-N
XLogP1.35
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol (CID 56814951) is [1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol is OCC1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1.
What is the InChIKey of [1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol?
The InChIKey is IFYXGQAGPOLNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c13-12(14,15)9-4-10(20-11(18-9)16-7-17-20)19-3-1-2-8(5-19)6-21/h4,7-8,21H,1-3,5-6H2.
What are the key properties of [1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol?
[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol has a molecular weight of 301.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 56814951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).