3-(4-amino-6-benzyl-1,3,5-triazin-2-yl)-N-cyclobutyl-1,2,4-oxadiazole-5-carboxamide

C17H17N7O2 — CID 148808810

IUPAC3-(4-amino-6-benzyl-1,3,5-triazin-2-yl)-N-cyclobutyl-1,2,4-oxadiazole-5-carboxamide
SMILESNc1nc(Cc2ccccc2)nc(-c2noc(C(=O)NC3CCC3)n2)n1
InChIInChI=1S/C17H17N7O2/c18-17-21-12(9-10-5-2-1-3-6-10)20-13(23-17)14-22-16(26-24-14)15(25)19-11-7-4-8-11/h1-3,5-6,11H,4,7-9H2,(H,19,25)(H2,18,20,21,23)
InChIKeyOPMPHORGMSMWLW-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.38
Rot. Bonds5

About 3-(4-amino-6-benzyl-1,3,5-triazin-2-yl)-N-cyclobutyl-1,2,4-oxadiazole-5-carboxamide

3-(4-amino-6-benzyl-1,3,5-triazin-2-yl)-N-cyclobutyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 148808810) has the molecular formula C17H17N7O2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 3-(4-amino-6-benzyl-1,3,5-triazin-2-yl)-N-cyclobutyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-amino-6-benzyl-1,3,5-triazin-2-yl)-N-cyclobutyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID148808810
Molecular FormulaC17H17N7O2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name3-(4-amino-6-benzyl-1,3,5-triazin-2-yl)-N-cyclobutyl-1,2,4-oxadiazole-5-carboxamide
SMILESNc1nc(Cc2ccccc2)nc(-c2noc(C(=O)NC3CCC3)n2)n1
InChIInChI=1S/C17H17N7O2/c18-17-21-12(9-10-5-2-1-3-6-10)20-13(23-17)14-22-16(26-24-14)15(25)19-11-7-4-8-11/h1-3,5-6,11H,4,7-9H2,(H,19,25)(H2,18,20,21,23)
InChIKeyOPMPHORGMSMWLW-UHFFFAOYSA-N
XLogP1.38
TPSA132.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-6-benzyl-1,3,5-triazin-2-yl)-N-cyclobutyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(4-amino-6-benzyl-1,3,5-triazin-2-yl)-N-cyclobutyl-1,2,4-oxadiazole-5-carboxamide (CID 148808810) is 3-(4-amino-6-benzyl-1,3,5-triazin-2-yl)-N-cyclobutyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(4-amino-6-benzyl-1,3,5-triazin-2-yl)-N-cyclobutyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(4-amino-6-benzyl-1,3,5-triazin-2-yl)-N-cyclobutyl-1,2,4-oxadiazole-5-carboxamide is Nc1nc(Cc2ccccc2)nc(-c2noc(C(=O)NC3CCC3)n2)n1.
What is the InChIKey of 3-(4-amino-6-benzyl-1,3,5-triazin-2-yl)-N-cyclobutyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is OPMPHORGMSMWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2/c18-17-21-12(9-10-5-2-1-3-6-10)20-13(23-17)14-22-16(26-24-14)15(25)19-11-7-4-8-11/h1-3,5-6,11H,4,7-9H2,(H,19,25)(H2,18,20,21,23).
What are the key properties of 3-(4-amino-6-benzyl-1,3,5-triazin-2-yl)-N-cyclobutyl-1,2,4-oxadiazole-5-carboxamide?
3-(4-amino-6-benzyl-1,3,5-triazin-2-yl)-N-cyclobutyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-6-benzyl-1,3,5-triazin-2-yl)-N-cyclobutyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 148808810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).