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

C12H16N6O — CID 64577280

IUPAC5-amino-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCN2CCn3cnnc3C2)c1
InChIInChI=1S/C12H16N6O/c13-10-1-2-12(19)17(7-10)5-3-16-4-6-18-9-14-15-11(18)8-16/h1-2,7,9H,3-6,8,13H2
InChIKeyCWKKESPMTWSSIM-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.46
Rot. Bonds3

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

5-amino-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-2-one (PubChem CID 64577280) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-amino-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-2-one
PubChem CID64577280
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name5-amino-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCN2CCn3cnnc3C2)c1
InChIInChI=1S/C12H16N6O/c13-10-1-2-12(19)17(7-10)5-3-16-4-6-18-9-14-15-11(18)8-16/h1-2,7,9H,3-6,8,13H2
InChIKeyCWKKESPMTWSSIM-UHFFFAOYSA-N
XLogP-0.46
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-2-one (CID 64577280) is 5-amino-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-2-one is Nc1ccc(=O)n(CCN2CCn3cnnc3C2)c1.
What is the InChIKey of 5-amino-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-2-one?
The InChIKey is CWKKESPMTWSSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c13-10-1-2-12(19)17(7-10)5-3-16-4-6-18-9-14-15-11(18)8-16/h1-2,7,9H,3-6,8,13H2.
What are the key properties of 5-amino-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-2-one?
5-amino-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-2-one has a molecular weight of 260.30 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 64577280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).