5-[[methyl(2-piperazin-1-ylethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C13H21N7O — CID 63265821

IUPAC5-[[methyl(2-piperazin-1-ylethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCN(CCN1CCNCC1)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C13H21N7O/c1-18(6-7-19-4-2-14-3-5-19)9-11-8-12(21)20-13(17-11)15-10-16-20/h8,10,14H,2-7,9H2,1H3,(H,15,16,17)
InChIKeyGVVFYGVOHLKNEX-UHFFFAOYSA-N
MW291.36 g/mol
LogP-1.25
Rot. Bonds5

About 5-[[methyl(2-piperazin-1-ylethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[[methyl(2-piperazin-1-ylethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 63265821) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is 5-[[methyl(2-piperazin-1-ylethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[methyl(2-piperazin-1-ylethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID63265821
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name5-[[methyl(2-piperazin-1-ylethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCN(CCN1CCNCC1)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C13H21N7O/c1-18(6-7-19-4-2-14-3-5-19)9-11-8-12(21)20-13(17-11)15-10-16-20/h8,10,14H,2-7,9H2,1H3,(H,15,16,17)
InChIKeyGVVFYGVOHLKNEX-UHFFFAOYSA-N
XLogP-1.25
TPSA81.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(2-piperazin-1-ylethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[methyl(2-piperazin-1-ylethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 63265821) is 5-[[methyl(2-piperazin-1-ylethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[methyl(2-piperazin-1-ylethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[methyl(2-piperazin-1-ylethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CN(CCN1CCNCC1)Cc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of 5-[[methyl(2-piperazin-1-ylethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GVVFYGVOHLKNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-18(6-7-19-4-2-14-3-5-19)9-11-8-12(21)20-13(17-11)15-10-16-20/h8,10,14H,2-7,9H2,1H3,(H,15,16,17).
What are the key properties of 5-[[methyl(2-piperazin-1-ylethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[methyl(2-piperazin-1-ylethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 291.36 g/mol, XLogP of -1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(2-piperazin-1-ylethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 63265821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).