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

C15H11N7O2 — CID 2492511

IUPAC7-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)Nc3nnc(-c4ccccc4)o3)nn12
InChIInChI=1S/C15H11N7O2/c1-9-7-8-16-14-17-11(21-22(9)14)12(23)18-15-20-19-13(24-15)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,20,23)
InChIKeyVTYRSXDDIDGVJF-UHFFFAOYSA-N
MW321.30 g/mol
LogP1.74
Rot. Bonds3

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

7-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2492511) has the molecular formula C15H11N7O2 and a molecular weight of 321.30 g/mol. Its IUPAC name is 7-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2492511
Molecular FormulaC15H11N7O2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name7-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)Nc3nnc(-c4ccccc4)o3)nn12
InChIInChI=1S/C15H11N7O2/c1-9-7-8-16-14-17-11(21-22(9)14)12(23)18-15-20-19-13(24-15)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,20,23)
InChIKeyVTYRSXDDIDGVJF-UHFFFAOYSA-N
XLogP1.74
TPSA111.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2492511) is 7-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)Nc3nnc(-c4ccccc4)o3)nn12.
What is the InChIKey of 7-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is VTYRSXDDIDGVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N7O2/c1-9-7-8-16-14-17-11(21-22(9)14)12(23)18-15-20-19-13(24-15)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,20,23).
What are the key properties of 7-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 321.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2492511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).