2,5-dimethyl-6-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C11H16N6O — CID 137362620

IUPAC2,5-dimethyl-6-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(C)c(N3CCNCC3)c(=O)n2[nH]1
InChIInChI=1S/C11H16N6O/c1-7-9(16-5-3-12-4-6-16)10(18)17-11(13-7)14-8(2)15-17/h12H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyBTRIJYGHNBLBIZ-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.56
Rot. Bonds1

About 2,5-dimethyl-6-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2,5-dimethyl-6-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 137362620) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2,5-dimethyl-6-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,5-dimethyl-6-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID137362620
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name2,5-dimethyl-6-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(C)c(N3CCNCC3)c(=O)n2[nH]1
InChIInChI=1S/C11H16N6O/c1-7-9(16-5-3-12-4-6-16)10(18)17-11(13-7)14-8(2)15-17/h12H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyBTRIJYGHNBLBIZ-UHFFFAOYSA-N
XLogP-0.56
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,5-dimethyl-6-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

5-(4-(Aminomethyl)-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol
CID 135422761
5-methyl-2-[3-(4-methylpiperazin-1-yl)propylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 58878213
2-bromo-5-ethyl-6-(2-ethylpiperazin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 176929820
5-[(2-methylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 55104773
5-[[methyl(2-piperazin-1-ylethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 63265821
5-[(3,5-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 63873527
5-[(2,6-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 63911630
5-[(2,5-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 64980651
5-[(3-methylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 65449215
5-[[(2S)-2-methylpiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 82755613
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 82761363
5-Methyl-2-(piperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 97619396

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2,5-dimethyl-6-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 137362620) is 2,5-dimethyl-6-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2,5-dimethyl-6-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2,5-dimethyl-6-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc(C)c(N3CCNCC3)c(=O)n2[nH]1.
What is the InChIKey of 2,5-dimethyl-6-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BTRIJYGHNBLBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-7-9(16-5-3-12-4-6-16)10(18)17-11(13-7)14-8(2)15-17/h12H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 2,5-dimethyl-6-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2,5-dimethyl-6-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 248.29 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 137362620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).