[(3S)-3-methylmorpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone

C12H14N4O2 — CID 166278381

IUPAC[(3S)-3-methylmorpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone
SMILESC[C@H]1COCCN1C(=O)c1cccc2nncn12
InChIInChI=1S/C12H14N4O2/c1-9-7-18-6-5-15(9)12(17)10-3-2-4-11-14-13-8-16(10)11/h2-4,8-9H,5-7H2,1H3/t9-/m0/s1
InChIKeySDXFRCNEBNLVGI-VIFPVBQESA-N
MW246.27 g/mol
LogP0.59
Rot. Bonds1

About [(3S)-3-methylmorpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone

[(3S)-3-methylmorpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone (PubChem CID 166278381) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is [(3S)-3-methylmorpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-methylmorpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone
PubChem CID166278381
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name[(3S)-3-methylmorpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone
SMILESC[C@H]1COCCN1C(=O)c1cccc2nncn12
InChIInChI=1S/C12H14N4O2/c1-9-7-18-6-5-15(9)12(17)10-3-2-4-11-14-13-8-16(10)11/h2-4,8-9H,5-7H2,1H3/t9-/m0/s1
InChIKeySDXFRCNEBNLVGI-VIFPVBQESA-N
XLogP0.59
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methylmorpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone?
The IUPAC name of [(3S)-3-methylmorpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone (CID 166278381) is [(3S)-3-methylmorpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone.
What is the SMILES notation for [(3S)-3-methylmorpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone?
The canonical SMILES for [(3S)-3-methylmorpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone is C[C@H]1COCCN1C(=O)c1cccc2nncn12.
What is the InChIKey of [(3S)-3-methylmorpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone?
The InChIKey is SDXFRCNEBNLVGI-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N4O2/c1-9-7-18-6-5-15(9)12(17)10-3-2-4-11-14-13-8-16(10)11/h2-4,8-9H,5-7H2,1H3/t9-/m0/s1.
What are the key properties of [(3S)-3-methylmorpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone?
[(3S)-3-methylmorpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone has a molecular weight of 246.27 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methylmorpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone is sourced from PubChem (CID 166278381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).