1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]triazole-4-carboxamide

C14H13N9O2 — CID 91631834

IUPAC1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]triazole-4-carboxamide
SMILESCc1noc(-c2ccn3c(CNC(=O)c4cn(C)nn4)nnc3c2)n1
InChIInChI=1S/C14H13N9O2/c1-8-16-14(25-20-8)9-3-4-23-11(5-9)18-19-12(23)6-15-13(24)10-7-22(2)21-17-10/h3-5,7H,6H2,1-2H3,(H,15,24)
InChIKeyYCOOISAGVBRPQU-UHFFFAOYSA-N
MW339.32 g/mol
LogP0.15
Rot. Bonds4

About 1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]triazole-4-carboxamide

1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]triazole-4-carboxamide (PubChem CID 91631834) has the molecular formula C14H13N9O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]triazole-4-carboxamide
PubChem CID91631834
Molecular FormulaC14H13N9O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]triazole-4-carboxamide
SMILESCc1noc(-c2ccn3c(CNC(=O)c4cn(C)nn4)nnc3c2)n1
InChIInChI=1S/C14H13N9O2/c1-8-16-14(25-20-8)9-3-4-23-11(5-9)18-19-12(23)6-15-13(24)10-7-22(2)21-17-10/h3-5,7H,6H2,1-2H3,(H,15,24)
InChIKeyYCOOISAGVBRPQU-UHFFFAOYSA-N
XLogP0.15
TPSA128.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]triazole-4-carboxamide (CID 91631834) is 1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]triazole-4-carboxamide is Cc1noc(-c2ccn3c(CNC(=O)c4cn(C)nn4)nnc3c2)n1.
What is the InChIKey of 1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]triazole-4-carboxamide?
The InChIKey is YCOOISAGVBRPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N9O2/c1-8-16-14(25-20-8)9-3-4-23-11(5-9)18-19-12(23)6-15-13(24)10-7-22(2)21-17-10/h3-5,7H,6H2,1-2H3,(H,15,24).
What are the key properties of 1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]triazole-4-carboxamide?
1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]triazole-4-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 91631834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).