5-methyl-2-piperidin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C11H15N5O — CID 51580214

IUPAC5-methyl-2-piperidin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C3CCCNC3)nc2n1
InChIInChI=1S/C11H15N5O/c1-7-5-9(17)16-11(13-7)14-10(15-16)8-3-2-4-12-6-8/h5,8,12H,2-4,6H2,1H3,(H,13,14,15)
InChIKeyIOLJEEUAXQGRPG-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.19
Rot. Bonds1

About 5-methyl-2-piperidin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-methyl-2-piperidin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 51580214) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-methyl-2-piperidin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-piperidin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID51580214
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name5-methyl-2-piperidin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C3CCCNC3)nc2n1
InChIInChI=1S/C11H15N5O/c1-7-5-9(17)16-11(13-7)14-10(15-16)8-3-2-4-12-6-8/h5,8,12H,2-4,6H2,1H3,(H,13,14,15)
InChIKeyIOLJEEUAXQGRPG-UHFFFAOYSA-N
XLogP0.19
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-2-piperidin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-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 5-methyl-2-piperidin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-piperidin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 51580214) is 5-methyl-2-piperidin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-piperidin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-piperidin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(C3CCCNC3)nc2n1.
What is the InChIKey of 5-methyl-2-piperidin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IOLJEEUAXQGRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7-5-9(17)16-11(13-7)14-10(15-16)8-3-2-4-12-6-8/h5,8,12H,2-4,6H2,1H3,(H,13,14,15).
What are the key properties of 5-methyl-2-piperidin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-piperidin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 233.27 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperidin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 51580214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).