(2S)-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]morpholine-2-carbonitrile

C14H15N5O3 — CID 96517051

IUPAC(2S)-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]morpholine-2-carbonitrile
SMILESN#C[C@@H]1CN(C(=O)CCn2nc3ccccn3c2=O)CCO1
InChIInChI=1S/C14H15N5O3/c15-9-11-10-17(7-8-22-11)13(20)4-6-19-14(21)18-5-2-1-3-12(18)16-19/h1-3,5,11H,4,6-8,10H2/t11-/m1/s1
InChIKeyLVHZUKMUEUFCJW-LLVKDONJSA-N
MW301.31 g/mol
LogP-0.36
Rot. Bonds3

About (2S)-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]morpholine-2-carbonitrile

(2S)-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]morpholine-2-carbonitrile (PubChem CID 96517051) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is (2S)-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]morpholine-2-carbonitrile
PubChem CID96517051
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name(2S)-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]morpholine-2-carbonitrile
SMILESN#C[C@@H]1CN(C(=O)CCn2nc3ccccn3c2=O)CCO1
InChIInChI=1S/C14H15N5O3/c15-9-11-10-17(7-8-22-11)13(20)4-6-19-14(21)18-5-2-1-3-12(18)16-19/h1-3,5,11H,4,6-8,10H2/t11-/m1/s1
InChIKeyLVHZUKMUEUFCJW-LLVKDONJSA-N
XLogP-0.36
TPSA92.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]morpholine-2-carbonitrile?
The IUPAC name of (2S)-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]morpholine-2-carbonitrile (CID 96517051) is (2S)-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]morpholine-2-carbonitrile.
What is the SMILES notation for (2S)-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]morpholine-2-carbonitrile?
The canonical SMILES for (2S)-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]morpholine-2-carbonitrile is N#C[C@@H]1CN(C(=O)CCn2nc3ccccn3c2=O)CCO1.
What is the InChIKey of (2S)-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]morpholine-2-carbonitrile?
The InChIKey is LVHZUKMUEUFCJW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15N5O3/c15-9-11-10-17(7-8-22-11)13(20)4-6-19-14(21)18-5-2-1-3-12(18)16-19/h1-3,5,11H,4,6-8,10H2/t11-/m1/s1.
What are the key properties of (2S)-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]morpholine-2-carbonitrile?
(2S)-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]morpholine-2-carbonitrile has a molecular weight of 301.31 g/mol, XLogP of -0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]morpholine-2-carbonitrile is sourced from PubChem (CID 96517051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).