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

C12H17N5O — CID 71563685

IUPAC5-methyl-2-(2-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(N3CCCCC3C)nc2n1
InChIInChI=1S/C12H17N5O/c1-8-7-10(18)17-11(13-8)14-12(15-17)16-6-4-3-5-9(16)2/h7,9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyIMZFMHDURJKJAS-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.10
Rot. Bonds1

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

5-methyl-2-(2-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 71563685) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-methyl-2-(2-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-(2-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID71563685
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name5-methyl-2-(2-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(N3CCCCC3C)nc2n1
InChIInChI=1S/C12H17N5O/c1-8-7-10(18)17-11(13-8)14-12(15-17)16-6-4-3-5-9(16)2/h7,9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyIMZFMHDURJKJAS-UHFFFAOYSA-N
XLogP1.10
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-2-(2-methylpiperidin-1-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

Related Compounds

5-Methyl-2-piperidin-1-yl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 14547518
5-methyl-2-(4-methylpiperazin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 14547519
5-methyl-2-[3-(4-methylpiperazin-1-yl)propylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 58878213
2-Amino-3-diazenyl-6-(piperidin-1-ylmethyl)pyrimidin-4-one
CID 174256114
2-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 16415643
5-Chloromethyl-2-piperidin-1-yl-4H-[1,2,4]-triazolo[1,5-a]pyrimidin-7-one
CID 29888444
5-[(4-aminopiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 43556653
5-[[methyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 43607145
2-(piperidin-1-yl)-5-(sulfanylmethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 50928566
5-[(2-methylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 55104773
5-[[piperidin-4-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 60805471
5-[[ethyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 60807302

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-(2-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 71563685) is 5-methyl-2-(2-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-(2-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-(2-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(N3CCCCC3C)nc2n1.
What is the InChIKey of 5-methyl-2-(2-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IMZFMHDURJKJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-7-10(18)17-11(13-8)14-12(15-17)16-6-4-3-5-9(16)2/h7,9H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 5-methyl-2-(2-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-(2-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 247.30 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 71563685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).