5-[[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C15H22N6O2 — CID 56913594

IUPAC5-[[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)CN1CCN(Cc2cc(=O)n3[nH]cnc3n2)C(C)C1=O
InChIInChI=1S/C15H22N6O2/c1-10(2)7-20-5-4-19(11(3)14(20)23)8-12-6-13(22)21-15(18-12)16-9-17-21/h6,9-11H,4-5,7-8H2,1-3H3,(H,16,17,18)
InChIKeyHVUNEHHUBLUPGR-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.11
Rot. Bonds4

About 5-[[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 56913594) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-[[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID56913594
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name5-[[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)CN1CCN(Cc2cc(=O)n3[nH]cnc3n2)C(C)C1=O
InChIInChI=1S/C15H22N6O2/c1-10(2)7-20-5-4-19(11(3)14(20)23)8-12-6-13(22)21-15(18-12)16-9-17-21/h6,9-11H,4-5,7-8H2,1-3H3,(H,16,17,18)
InChIKeyHVUNEHHUBLUPGR-UHFFFAOYSA-N
XLogP0.11
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-(4-methylpiperazin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 14547519
(7-Hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)(4-methylpiperidin-1-yl)methanone
CID 17583901
5-[(2-methylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 55104773
5-[[3-(methylamino)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62547598
5-[[methyl(2-piperazin-1-ylethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 63265821
5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 63596398
5-[[piperidin-3-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 63638381
5-[[ethyl(piperidin-3-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 63638701
5-[[methyl(piperidin-3-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 63643569
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-[(3-amino-4-methylpiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 64014873

Frequently Asked Questions

What is the IUPAC name of 5-[[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 56913594) is 5-[[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)CN1CCN(Cc2cc(=O)n3[nH]cnc3n2)C(C)C1=O.
What is the InChIKey of 5-[[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HVUNEHHUBLUPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-10(2)7-20-5-4-19(11(3)14(20)23)8-12-6-13(22)21-15(18-12)16-9-17-21/h6,9-11H,4-5,7-8H2,1-3H3,(H,16,17,18).
What are the key properties of 5-[[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 318.38 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 56913594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).