(2S,3R)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxane-3-carboxamide

C13H16N4O2 — CID 129492540

IUPAC(2S,3R)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxane-3-carboxamide
SMILESC[C@@H]1OCCC[C@H]1C(=O)Nc1nnc2ccccn12
InChIInChI=1S/C13H16N4O2/c1-9-10(5-4-8-19-9)12(18)14-13-16-15-11-6-2-3-7-17(11)13/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,14,16,18)/t9-,10+/m0/s1
InChIKeyTUPSDNAGUXBBCW-VHSXEESVSA-N
MW260.30 g/mol
LogP1.48
Rot. Bonds2

About (2S,3R)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxane-3-carboxamide

(2S,3R)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxane-3-carboxamide (PubChem CID 129492540) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (2S,3R)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxane-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxane-3-carboxamide
PubChem CID129492540
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(2S,3R)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxane-3-carboxamide
SMILESC[C@@H]1OCCC[C@H]1C(=O)Nc1nnc2ccccn12
InChIInChI=1S/C13H16N4O2/c1-9-10(5-4-8-19-9)12(18)14-13-16-15-11-6-2-3-7-17(11)13/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,14,16,18)/t9-,10+/m0/s1
InChIKeyTUPSDNAGUXBBCW-VHSXEESVSA-N
XLogP1.48
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxane-3-carboxamide?
The IUPAC name of (2S,3R)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxane-3-carboxamide (CID 129492540) is (2S,3R)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxane-3-carboxamide.
What is the SMILES notation for (2S,3R)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxane-3-carboxamide?
The canonical SMILES for (2S,3R)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxane-3-carboxamide is C[C@@H]1OCCC[C@H]1C(=O)Nc1nnc2ccccn12.
What is the InChIKey of (2S,3R)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxane-3-carboxamide?
The InChIKey is TUPSDNAGUXBBCW-VHSXEESVSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-10(5-4-8-19-9)12(18)14-13-16-15-11-6-2-3-7-17(11)13/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,14,16,18)/t9-,10+/m0/s1.
What are the key properties of (2S,3R)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxane-3-carboxamide?
(2S,3R)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxane-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxane-3-carboxamide is sourced from PubChem (CID 129492540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).