5-[(2,6-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C12H18N6O — CID 63911630

IUPAC5-[(2,6-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC1CNCC(C)N1Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C12H18N6O/c1-8-4-13-5-9(2)17(8)6-10-3-11(19)18-12(16-10)14-7-15-18/h3,7-9,13H,4-6H2,1-2H3,(H,14,15,16)
InChIKeyLXOZVAMESHMRFJ-UHFFFAOYSA-N
MW262.32 g/mol
LogP-0.40
Rot. Bonds2

About 5-[(2,6-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[(2,6-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 63911630) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 5-[(2,6-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(2,6-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID63911630
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name5-[(2,6-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC1CNCC(C)N1Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C12H18N6O/c1-8-4-13-5-9(2)17(8)6-10-3-11(19)18-12(16-10)14-7-15-18/h3,7-9,13H,4-6H2,1-2H3,(H,14,15,16)
InChIKeyLXOZVAMESHMRFJ-UHFFFAOYSA-N
XLogP-0.40
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(2,6-dimethylpiperazin-1-yl)methyl]-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

2-piperazin-1-yl-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one dihydrochloride
CID 91658759
2-piperazin-1-yl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 91658760
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
N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
CID 22160351
5-methyl-2-[3-(4-methylpiperazin-1-yl)propylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 58878213
2,5-dimethyl-6-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 137362620
5-methyl-2-[3-(4-methylpiperazin-1-yl)propylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;dihydrochloride
CID 169424325
5-(1,4-diazepan-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 43162425
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
5-[(2-methylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 55104773

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(2,6-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 63911630) is 5-[(2,6-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(2,6-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(2,6-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC1CNCC(C)N1Cc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of 5-[(2,6-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LXOZVAMESHMRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-8-4-13-5-9(2)17(8)6-10-3-11(19)18-12(16-10)14-7-15-18/h3,7-9,13H,4-6H2,1-2H3,(H,14,15,16).
What are the key properties of 5-[(2,6-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[(2,6-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 262.32 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 63911630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).