N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-[(3S)-morpholin-3-yl]acetamide

C13H17N5O2 — CID 95728474

IUPACN-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-[(3S)-morpholin-3-yl]acetamide
SMILESCc1nc2c(NC(=O)C[C@H]3COCCN3)cccn2n1
InChIInChI=1S/C13H17N5O2/c1-9-15-13-11(3-2-5-18(13)17-9)16-12(19)7-10-8-20-6-4-14-10/h2-3,5,10,14H,4,6-8H2,1H3,(H,16,19)/t10-/m0/s1
InChIKeyJBPVQUKKZLHOEN-JTQLQIEISA-N
MW275.31 g/mol
LogP0.35
Rot. Bonds3

About N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-[(3S)-morpholin-3-yl]acetamide

N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-[(3S)-morpholin-3-yl]acetamide (PubChem CID 95728474) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-[(3S)-morpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-[(3S)-morpholin-3-yl]acetamide
PubChem CID95728474
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-[(3S)-morpholin-3-yl]acetamide
SMILESCc1nc2c(NC(=O)C[C@H]3COCCN3)cccn2n1
InChIInChI=1S/C13H17N5O2/c1-9-15-13-11(3-2-5-18(13)17-9)16-12(19)7-10-8-20-6-4-14-10/h2-3,5,10,14H,4,6-8H2,1H3,(H,16,19)/t10-/m0/s1
InChIKeyJBPVQUKKZLHOEN-JTQLQIEISA-N
XLogP0.35
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-[(3S)-morpholin-3-yl]acetamide?
The IUPAC name of N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-[(3S)-morpholin-3-yl]acetamide (CID 95728474) is N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-[(3S)-morpholin-3-yl]acetamide.
What is the SMILES notation for N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-[(3S)-morpholin-3-yl]acetamide?
The canonical SMILES for N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-[(3S)-morpholin-3-yl]acetamide is Cc1nc2c(NC(=O)C[C@H]3COCCN3)cccn2n1.
What is the InChIKey of N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-[(3S)-morpholin-3-yl]acetamide?
The InChIKey is JBPVQUKKZLHOEN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9-15-13-11(3-2-5-18(13)17-9)16-12(19)7-10-8-20-6-4-14-10/h2-3,5,10,14H,4,6-8H2,1H3,(H,16,19)/t10-/m0/s1.
What are the key properties of N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-[(3S)-morpholin-3-yl]acetamide?
N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-[(3S)-morpholin-3-yl]acetamide has a molecular weight of 275.31 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-[(3S)-morpholin-3-yl]acetamide is sourced from PubChem (CID 95728474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).