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

C13H18N6O — CID 64577664

IUPAC5-amino-1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCCN2CCn3cnnc3C2)c1
InChIInChI=1S/C13H18N6O/c14-11-2-3-13(20)18(8-11)5-1-4-17-6-7-19-10-15-16-12(19)9-17/h2-3,8,10H,1,4-7,9,14H2
InChIKeyAMDUGMCQDDVKPI-UHFFFAOYSA-N
MW274.33 g/mol
LogP-0.07
Rot. Bonds4

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

5-amino-1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pyridin-2-one (PubChem CID 64577664) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-amino-1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pyridin-2-one
PubChem CID64577664
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name5-amino-1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCCN2CCn3cnnc3C2)c1
InChIInChI=1S/C13H18N6O/c14-11-2-3-13(20)18(8-11)5-1-4-17-6-7-19-10-15-16-12(19)9-17/h2-3,8,10H,1,4-7,9,14H2
InChIKeyAMDUGMCQDDVKPI-UHFFFAOYSA-N
XLogP-0.07
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pyridin-2-one (CID 64577664) is 5-amino-1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pyridin-2-one is Nc1ccc(=O)n(CCCN2CCn3cnnc3C2)c1.
What is the InChIKey of 5-amino-1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pyridin-2-one?
The InChIKey is AMDUGMCQDDVKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c14-11-2-3-13(20)18(8-11)5-1-4-17-6-7-19-10-15-16-12(19)9-17/h2-3,8,10H,1,4-7,9,14H2.
What are the key properties of 5-amino-1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pyridin-2-one?
5-amino-1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pyridin-2-one has a molecular weight of 274.33 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pyridin-2-one is sourced from PubChem (CID 64577664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).