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

C12H15F2N5O — CID 138043477

IUPAC[4,4-difluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]methanol
SMILESCc1cc(N2CCC(F)(F)C(CO)C2)n2ncnc2n1
InChIInChI=1S/C12H15F2N5O/c1-8-4-10(19-11(17-8)15-7-16-19)18-3-2-12(13,14)9(5-18)6-20/h4,7,9,20H,2-3,5-6H2,1H3
InChIKeySDYFNGJSUFBWNB-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.89
Rot. Bonds2

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

[4,4-difluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]methanol (PubChem CID 138043477) has the molecular formula C12H15F2N5O and a molecular weight of 283.28 g/mol. Its IUPAC name is [4,4-difluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[4,4-difluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]methanol
PubChem CID138043477
Molecular FormulaC12H15F2N5O
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name[4,4-difluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]methanol
SMILESCc1cc(N2CCC(F)(F)C(CO)C2)n2ncnc2n1
InChIInChI=1S/C12H15F2N5O/c1-8-4-10(19-11(17-8)15-7-16-19)18-3-2-12(13,14)9(5-18)6-20/h4,7,9,20H,2-3,5-6H2,1H3
InChIKeySDYFNGJSUFBWNB-UHFFFAOYSA-N
XLogP0.89
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4,4-difluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]methanol?
The IUPAC name of [4,4-difluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]methanol (CID 138043477) is [4,4-difluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [4,4-difluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]methanol?
The canonical SMILES for [4,4-difluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]methanol is Cc1cc(N2CCC(F)(F)C(CO)C2)n2ncnc2n1.
What is the InChIKey of [4,4-difluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]methanol?
The InChIKey is SDYFNGJSUFBWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5O/c1-8-4-10(19-11(17-8)15-7-16-19)18-3-2-12(13,14)9(5-18)6-20/h4,7,9,20H,2-3,5-6H2,1H3.
What are the key properties of [4,4-difluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]methanol?
[4,4-difluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]methanol has a molecular weight of 283.28 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-difluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 138043477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).