7-(3-hydroxypiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C11H15N5O2 — CID 66281629

IUPAC7-(3-hydroxypiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(N2CCCC(O)C2)cc2n[nH]c(=O)n12
InChIInChI=1S/C11H15N5O2/c1-7-12-9(15-4-2-3-8(17)6-15)5-10-13-14-11(18)16(7)10/h5,8,17H,2-4,6H2,1H3,(H,14,18)
InChIKeyZHEUGTNLVKVGES-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.31
Rot. Bonds1

About 7-(3-hydroxypiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-(3-hydroxypiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66281629) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 7-(3-hydroxypiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(3-hydroxypiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66281629
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name7-(3-hydroxypiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(N2CCCC(O)C2)cc2n[nH]c(=O)n12
InChIInChI=1S/C11H15N5O2/c1-7-12-9(15-4-2-3-8(17)6-15)5-10-13-14-11(18)16(7)10/h5,8,17H,2-4,6H2,1H3,(H,14,18)
InChIKeyZHEUGTNLVKVGES-UHFFFAOYSA-N
XLogP-0.31
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3-hydroxypiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(3-hydroxypiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66281629) is 7-(3-hydroxypiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(3-hydroxypiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(3-hydroxypiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(N2CCCC(O)C2)cc2n[nH]c(=O)n12.
What is the InChIKey of 7-(3-hydroxypiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is ZHEUGTNLVKVGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-7-12-9(15-4-2-3-8(17)6-15)5-10-13-14-11(18)16(7)10/h5,8,17H,2-4,6H2,1H3,(H,14,18).
What are the key properties of 7-(3-hydroxypiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(3-hydroxypiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 249.27 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-hydroxypiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66281629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).