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

C11H16N6O — CID 99110203

IUPAC5-ethyl-2-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(N3CCNCC3)nc2n1
InChIInChI=1S/C11H16N6O/c1-2-8-7-9(18)17-10(13-8)14-11(15-17)16-5-3-12-4-6-16/h7,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyMTLQXFGMYDUFJS-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.61
Rot. Bonds2

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

5-ethyl-2-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 99110203) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-ethyl-2-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-ethyl-2-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID99110203
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name5-ethyl-2-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(N3CCNCC3)nc2n1
InChIInChI=1S/C11H16N6O/c1-2-8-7-9(18)17-10(13-8)14-11(15-17)16-5-3-12-4-6-16/h7,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyMTLQXFGMYDUFJS-UHFFFAOYSA-N
XLogP-0.61
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-ethyl-2-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 99110203) is 5-ethyl-2-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-ethyl-2-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-ethyl-2-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCc1cc(=O)n2[nH]c(N3CCNCC3)nc2n1.
What is the InChIKey of 5-ethyl-2-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MTLQXFGMYDUFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-2-8-7-9(18)17-10(13-8)14-11(15-17)16-5-3-12-4-6-16/h7,12H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 5-ethyl-2-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-ethyl-2-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 -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 99110203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).