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

C12H17N5O2 — CID 81115518

IUPAC7-(4-hydroxy-4-methylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(N2CCC(C)(O)CC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C12H17N5O2/c1-8-13-9(7-10-14-15-11(18)17(8)10)16-5-3-12(2,19)4-6-16/h7,19H,3-6H2,1-2H3,(H,15,18)
InChIKeyJEBROWIMQMHNEH-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.08
Rot. Bonds1

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

7-(4-hydroxy-4-methylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 81115518) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 7-(4-hydroxy-4-methylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(4-hydroxy-4-methylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID81115518
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name7-(4-hydroxy-4-methylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(N2CCC(C)(O)CC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C12H17N5O2/c1-8-13-9(7-10-14-15-11(18)17(8)10)16-5-3-12(2,19)4-6-16/h7,19H,3-6H2,1-2H3,(H,15,18)
InChIKeyJEBROWIMQMHNEH-UHFFFAOYSA-N
XLogP0.08
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(4-hydroxy-4-methylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxy-4-methylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(4-hydroxy-4-methylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 81115518) is 7-(4-hydroxy-4-methylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(4-hydroxy-4-methylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(4-hydroxy-4-methylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(N2CCC(C)(O)CC2)cc2n[nH]c(=O)n12.
What is the InChIKey of 7-(4-hydroxy-4-methylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is JEBROWIMQMHNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8-13-9(7-10-14-15-11(18)17(8)10)16-5-3-12(2,19)4-6-16/h7,19H,3-6H2,1-2H3,(H,15,18).
What are the key properties of 7-(4-hydroxy-4-methylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(4-hydroxy-4-methylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 263.30 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxy-4-methylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 81115518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).