1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxyethanone

C9H14N4O2 — CID 63586809

IUPAC1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxyethanone
SMILESCCOCC(=O)N1CCn2cnnc2C1
InChIInChI=1S/C9H14N4O2/c1-2-15-6-9(14)12-3-4-13-7-10-11-8(13)5-12/h7H,2-6H2,1H3
InChIKeyYNXUCMHCKRTSTC-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.34
Rot. Bonds3

About 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxyethanone

1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxyethanone (PubChem CID 63586809) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxyethanone.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxyethanone
PubChem CID63586809
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxyethanone
SMILESCCOCC(=O)N1CCn2cnnc2C1
InChIInChI=1S/C9H14N4O2/c1-2-15-6-9(14)12-3-4-13-7-10-11-8(13)5-12/h7H,2-6H2,1H3
InChIKeyYNXUCMHCKRTSTC-UHFFFAOYSA-N
XLogP-0.34
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxyethanone?
The IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxyethanone (CID 63586809) is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxyethanone.
What is the SMILES notation for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxyethanone?
The canonical SMILES for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxyethanone is CCOCC(=O)N1CCn2cnnc2C1.
What is the InChIKey of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxyethanone?
The InChIKey is YNXUCMHCKRTSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-2-15-6-9(14)12-3-4-13-7-10-11-8(13)5-12/h7H,2-6H2,1H3.
What are the key properties of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxyethanone?
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxyethanone has a molecular weight of 210.24 g/mol, XLogP of -0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxyethanone is sourced from PubChem (CID 63586809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).