ethane;3-(3-oxo-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione

C16H22N4O3 — CID 177157773

IUPACethane;3-(3-oxo-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
SMILESCC.CC(C)c1ccn2c(=O)n(C3CCC(=O)NC3=O)nc2c1
InChIInChI=1S/C14H16N4O3.C2H6/c1-8(2)9-5-6-17-11(7-9)16-18(14(17)21)10-3-4-12(19)15-13(10)20;1-2/h5-8,10H,3-4H2,1-2H3,(H,15,19,20);1-2H3
InChIKeyZSOFLOLHGDIASP-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.62
Rot. Bonds2

About ethane;3-(3-oxo-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione

ethane;3-(3-oxo-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione (PubChem CID 177157773) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is ethane;3-(3-oxo-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-(3-oxo-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
PubChem CID177157773
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Nameethane;3-(3-oxo-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
SMILESCC.CC(C)c1ccn2c(=O)n(C3CCC(=O)NC3=O)nc2c1
InChIInChI=1S/C14H16N4O3.C2H6/c1-8(2)9-5-6-17-11(7-9)16-18(14(17)21)10-3-4-12(19)15-13(10)20;1-2/h5-8,10H,3-4H2,1-2H3,(H,15,19,20);1-2H3
InChIKeyZSOFLOLHGDIASP-UHFFFAOYSA-N
XLogP1.62
TPSA85.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(3-oxo-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The IUPAC name of ethane;3-(3-oxo-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione (CID 177157773) is ethane;3-(3-oxo-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione.
What is the SMILES notation for ethane;3-(3-oxo-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The canonical SMILES for ethane;3-(3-oxo-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione is CC.CC(C)c1ccn2c(=O)n(C3CCC(=O)NC3=O)nc2c1.
What is the InChIKey of ethane;3-(3-oxo-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The InChIKey is ZSOFLOLHGDIASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3.C2H6/c1-8(2)9-5-6-17-11(7-9)16-18(14(17)21)10-3-4-12(19)15-13(10)20;1-2/h5-8,10H,3-4H2,1-2H3,(H,15,19,20);1-2H3.
What are the key properties of ethane;3-(3-oxo-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
ethane;3-(3-oxo-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione has a molecular weight of 318.38 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(3-oxo-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 177157773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).