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

C8H12N4O2 — CID 63586630

IUPAC1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCn2cnnc2C1
InChIInChI=1S/C8H12N4O2/c1-14-5-8(13)11-2-3-12-6-9-10-7(12)4-11/h6H,2-5H2,1H3
InChIKeyNZRQJHXWTCRYMS-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.73
Rot. Bonds2

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

1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methoxyethanone (PubChem CID 63586630) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methoxyethanone
PubChem CID63586630
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCn2cnnc2C1
InChIInChI=1S/C8H12N4O2/c1-14-5-8(13)11-2-3-12-6-9-10-7(12)4-11/h6H,2-5H2,1H3
InChIKeyNZRQJHXWTCRYMS-UHFFFAOYSA-N
XLogP-0.73
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.73
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-methoxyethanone?
The IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methoxyethanone (CID 63586630) is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methoxyethanone?
The canonical SMILES for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methoxyethanone is COCC(=O)N1CCn2cnnc2C1.
What is the InChIKey of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methoxyethanone?
The InChIKey is NZRQJHXWTCRYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-14-5-8(13)11-2-3-12-6-9-10-7(12)4-11/h6H,2-5H2,1H3.
What are the key properties of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methoxyethanone?
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methoxyethanone has a molecular weight of 196.21 g/mol, XLogP of -0.73, 2 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-methoxyethanone is sourced from PubChem (CID 63586630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).