N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methyl-1,3-oxazole-4-carboxamide

C13H17N5O2 — CID 86772460

IUPACN-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methyl-1,3-oxazole-4-carboxamide
SMILESCCc1nnc2n1CC(NC(=O)c1ncoc1C)CC2
InChIInChI=1S/C13H17N5O2/c1-3-10-16-17-11-5-4-9(6-18(10)11)15-13(19)12-8(2)20-7-14-12/h7,9H,3-6H2,1-2H3,(H,15,19)
InChIKeyQXIYBTUQDRILTF-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.88
Rot. Bonds3

About N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methyl-1,3-oxazole-4-carboxamide

N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 86772460) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID86772460
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methyl-1,3-oxazole-4-carboxamide
SMILESCCc1nnc2n1CC(NC(=O)c1ncoc1C)CC2
InChIInChI=1S/C13H17N5O2/c1-3-10-16-17-11-5-4-9(6-18(10)11)15-13(19)12-8(2)20-7-14-12/h7,9H,3-6H2,1-2H3,(H,15,19)
InChIKeyQXIYBTUQDRILTF-UHFFFAOYSA-N
XLogP0.88
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methyl-1,3-oxazole-4-carboxamide (CID 86772460) is N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methyl-1,3-oxazole-4-carboxamide is CCc1nnc2n1CC(NC(=O)c1ncoc1C)CC2.
What is the InChIKey of N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is QXIYBTUQDRILTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-10-16-17-11-5-4-9(6-18(10)11)15-13(19)12-8(2)20-7-14-12/h7,9H,3-6H2,1-2H3,(H,15,19).
What are the key properties of N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methyl-1,3-oxazole-4-carboxamide?
N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86772460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).