5-amino-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide

C18H16N6O2 — CID 118707844

IUPAC5-amino-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
SMILESNc1ncc(C(=O)NCCc2ccccc2)c2nc(-c3ccco3)nn12
InChIInChI=1S/C18H16N6O2/c19-18-21-11-13(17(25)20-9-8-12-5-2-1-3-6-12)16-22-15(23-24(16)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21)(H,20,25)
InChIKeyQSEZHCRHSSPFSF-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.94
Rot. Bonds5

About 5-amino-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide

5-amino-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide (PubChem CID 118707844) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 5-amino-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name5-amino-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
PubChem CID118707844
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name5-amino-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
SMILESNc1ncc(C(=O)NCCc2ccccc2)c2nc(-c3ccco3)nn12
InChIInChI=1S/C18H16N6O2/c19-18-21-11-13(17(25)20-9-8-12-5-2-1-3-6-12)16-22-15(23-24(16)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21)(H,20,25)
InChIKeyQSEZHCRHSSPFSF-UHFFFAOYSA-N
XLogP1.94
TPSA111.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?
The IUPAC name of 5-amino-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide (CID 118707844) is 5-amino-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 5-amino-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?
The canonical SMILES for 5-amino-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide is Nc1ncc(C(=O)NCCc2ccccc2)c2nc(-c3ccco3)nn12.
What is the InChIKey of 5-amino-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?
The InChIKey is QSEZHCRHSSPFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c19-18-21-11-13(17(25)20-9-8-12-5-2-1-3-6-12)16-22-15(23-24(16)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21)(H,20,25).
What are the key properties of 5-amino-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?
5-amino-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 118707844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).