2-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C14H19N5O2 — CID 79873968

IUPAC2-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC1CN(CC(=O)n2nc3ccccn3c2=O)CCC1N
InChIInChI=1S/C14H19N5O2/c1-10-8-17(7-5-11(10)15)9-13(20)19-14(21)18-6-3-2-4-12(18)16-19/h2-4,6,10-11H,5,7-9,15H2,1H3
InChIKeyRTUOCIDFUNHVES-UHFFFAOYSA-N
MW289.34 g/mol
LogP-0.19
Rot. Bonds2

About 2-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 79873968) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID79873968
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC1CN(CC(=O)n2nc3ccccn3c2=O)CCC1N
InChIInChI=1S/C14H19N5O2/c1-10-8-17(7-5-11(10)15)9-13(20)19-14(21)18-6-3-2-4-12(18)16-19/h2-4,6,10-11H,5,7-9,15H2,1H3
InChIKeyRTUOCIDFUNHVES-UHFFFAOYSA-N
XLogP-0.19
TPSA85.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 79873968) is 2-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CC1CN(CC(=O)n2nc3ccccn3c2=O)CCC1N.
What is the InChIKey of 2-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is RTUOCIDFUNHVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-8-17(7-5-11(10)15)9-13(20)19-14(21)18-6-3-2-4-12(18)16-19/h2-4,6,10-11H,5,7-9,15H2,1H3.
What are the key properties of 2-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 289.34 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 79873968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).