2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C13H14N6O2 — CID 66273030

IUPAC2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESNc1ccc(=O)n(CCCn2nc3cnccn3c2=O)c1
InChIInChI=1S/C13H14N6O2/c14-10-2-3-12(20)17(9-10)5-1-6-19-13(21)18-7-4-15-8-11(18)16-19/h2-4,7-9H,1,5-6,14H2
InChIKeyHOSYKKOAVRAHPR-UHFFFAOYSA-N
MW286.30 g/mol
LogP-0.27
Rot. Bonds4

About 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66273030) has the molecular formula C13H14N6O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66273030
Molecular FormulaC13H14N6O2
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC Name2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESNc1ccc(=O)n(CCCn2nc3cnccn3c2=O)c1
InChIInChI=1S/C13H14N6O2/c14-10-2-3-12(20)17(9-10)5-1-6-19-13(21)18-7-4-15-8-11(18)16-19/h2-4,7-9H,1,5-6,14H2
InChIKeyHOSYKKOAVRAHPR-UHFFFAOYSA-N
XLogP-0.27
TPSA100.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66273030) is 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is Nc1ccc(=O)n(CCCn2nc3cnccn3c2=O)c1.
What is the InChIKey of 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is HOSYKKOAVRAHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c14-10-2-3-12(20)17(9-10)5-1-6-19-13(21)18-7-4-15-8-11(18)16-19/h2-4,7-9H,1,5-6,14H2.
What are the key properties of 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 286.30 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66273030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).