1-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-methoxyethanone

C14H20N6O2 — CID 56796856

IUPAC1-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-methoxyethanone
SMILESCCc1cc(N2CCN(C(=O)COC)CC2)n2ncnc2n1
InChIInChI=1S/C14H20N6O2/c1-3-11-8-12(20-14(17-11)15-10-16-20)18-4-6-19(7-5-18)13(21)9-22-2/h8,10H,3-7,9H2,1-2H3
InChIKeyJSAGNQMFTSYTEE-UHFFFAOYSA-N
MW304.35 g/mol
LogP-0.02
Rot. Bonds4

About 1-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-methoxyethanone

1-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-methoxyethanone (PubChem CID 56796856) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-methoxyethanone
PubChem CID56796856
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name1-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-methoxyethanone
SMILESCCc1cc(N2CCN(C(=O)COC)CC2)n2ncnc2n1
InChIInChI=1S/C14H20N6O2/c1-3-11-8-12(20-14(17-11)15-10-16-20)18-4-6-19(7-5-18)13(21)9-22-2/h8,10H,3-7,9H2,1-2H3
InChIKeyJSAGNQMFTSYTEE-UHFFFAOYSA-N
XLogP-0.02
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-methoxyethanone (CID 56796856) is 1-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-methoxyethanone is CCc1cc(N2CCN(C(=O)COC)CC2)n2ncnc2n1.
What is the InChIKey of 1-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-methoxyethanone?
The InChIKey is JSAGNQMFTSYTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-3-11-8-12(20-14(17-11)15-10-16-20)18-4-6-19(7-5-18)13(21)9-22-2/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 1-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-methoxyethanone?
1-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-methoxyethanone has a molecular weight of 304.35 g/mol, XLogP of -0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 56796856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).