[1-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]triazol-4-yl]methanol

C14H17F3N6O — CID 167824088

IUPAC[1-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]triazol-4-yl]methanol
SMILESCc1cc(C(F)(F)F)nc(N2CCCC(n3cc(CO)nn3)C2)n1
InChIInChI=1S/C14H17F3N6O/c1-9-5-12(14(15,16)17)19-13(18-9)22-4-2-3-11(7-22)23-6-10(8-24)20-21-23/h5-6,11,24H,2-4,7-8H2,1H3
InChIKeyHWOWWQKSIIFEOM-UHFFFAOYSA-N
MW342.33 g/mol
LogP1.73
Rot. Bonds3

About [1-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]triazol-4-yl]methanol

[1-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]triazol-4-yl]methanol (PubChem CID 167824088) has the molecular formula C14H17F3N6O and a molecular weight of 342.33 g/mol. Its IUPAC name is [1-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]triazol-4-yl]methanol
PubChem CID167824088
Molecular FormulaC14H17F3N6O
Molecular Weight342.33 g/mol
Exact Mass342.14
IUPAC Name[1-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]triazol-4-yl]methanol
SMILESCc1cc(C(F)(F)F)nc(N2CCCC(n3cc(CO)nn3)C2)n1
InChIInChI=1S/C14H17F3N6O/c1-9-5-12(14(15,16)17)19-13(18-9)22-4-2-3-11(7-22)23-6-10(8-24)20-21-23/h5-6,11,24H,2-4,7-8H2,1H3
InChIKeyHWOWWQKSIIFEOM-UHFFFAOYSA-N
XLogP1.73
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]triazol-4-yl]methanol?
The IUPAC name of [1-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]triazol-4-yl]methanol (CID 167824088) is [1-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]triazol-4-yl]methanol?
The canonical SMILES for [1-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]triazol-4-yl]methanol is Cc1cc(C(F)(F)F)nc(N2CCCC(n3cc(CO)nn3)C2)n1.
What is the InChIKey of [1-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]triazol-4-yl]methanol?
The InChIKey is HWOWWQKSIIFEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O/c1-9-5-12(14(15,16)17)19-13(18-9)22-4-2-3-11(7-22)23-6-10(8-24)20-21-23/h5-6,11,24H,2-4,7-8H2,1H3.
What are the key properties of [1-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]triazol-4-yl]methanol?
[1-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]triazol-4-yl]methanol has a molecular weight of 342.33 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]triazol-4-yl]methanol is sourced from PubChem (CID 167824088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).