[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl pyridine-3-carboxylate

C16H16N6O2 — CID 58514351

IUPAC[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl pyridine-3-carboxylate
SMILESO=C(OC[C@H]1CCCN1c1ccnc2ncnn12)c1cccnc1
InChIInChI=1S/C16H16N6O2/c23-15(12-3-1-6-17-9-12)24-10-13-4-2-8-21(13)14-5-7-18-16-19-11-20-22(14)16/h1,3,5-7,9,11,13H,2,4,8,10H2/t13-/m1/s1
InChIKeyVBEFLFQDGSXCDY-CYBMUJFWSA-N
MW324.34 g/mol
LogP1.35
Rot. Bonds4

About [(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl pyridine-3-carboxylate

[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl pyridine-3-carboxylate (PubChem CID 58514351) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is [(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl pyridine-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl pyridine-3-carboxylate
PubChem CID58514351
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl pyridine-3-carboxylate
SMILESO=C(OC[C@H]1CCCN1c1ccnc2ncnn12)c1cccnc1
InChIInChI=1S/C16H16N6O2/c23-15(12-3-1-6-17-9-12)24-10-13-4-2-8-21(13)14-5-7-18-16-19-11-20-22(14)16/h1,3,5-7,9,11,13H,2,4,8,10H2/t13-/m1/s1
InChIKeyVBEFLFQDGSXCDY-CYBMUJFWSA-N
XLogP1.35
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl pyridine-3-carboxylate?
The IUPAC name of [(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl pyridine-3-carboxylate (CID 58514351) is [(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl pyridine-3-carboxylate.
What is the SMILES notation for [(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl pyridine-3-carboxylate?
The canonical SMILES for [(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl pyridine-3-carboxylate is O=C(OC[C@H]1CCCN1c1ccnc2ncnn12)c1cccnc1.
What is the InChIKey of [(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl pyridine-3-carboxylate?
The InChIKey is VBEFLFQDGSXCDY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16N6O2/c23-15(12-3-1-6-17-9-12)24-10-13-4-2-8-21(13)14-5-7-18-16-19-11-20-22(14)16/h1,3,5-7,9,11,13H,2,4,8,10H2/t13-/m1/s1.
What are the key properties of [(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl pyridine-3-carboxylate?
[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl pyridine-3-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl pyridine-3-carboxylate is sourced from PubChem (CID 58514351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).