5-amino-N-(2-cyanoethyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide

C19H16N8O2 — CID 91261332

About 5-amino-N-(2-cyanoethyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide

5-amino-N-(2-cyanoethyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide (PubChem CID 91261332) has the molecular formula C19H16N8O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 5-amino-N-(2-cyanoethyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-(2-cyanoethyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide
• PubChem CID: 91261332
• Molecular Formula: C19H16N8O2
• Molecular Weight: 388.39 g/mol
• Exact Mass: 388.14
• IUPAC Name: 5-amino-N-(2-cyanoethyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide
• SMILES: N#CCCN(Cc1cccnc1)C(=O)c1cc2nc(-c3ccco3)nn2c(N)n1
• InChI: InChI=1S/C19H16N8O2/c20-6-3-8-26(12-13-4-1-7-22-11-13)18(28)14-10-16-24-17(15-5-2-9-29-15)25-27(16)19(21)23-14/h1-2,4-5,7,9-11H,3,8,12H2,(H2,21,23)
• InChIKey: BSEQQUBHOZEBIZ-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 139.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.39
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-cyanoethyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide?

The IUPAC name of 5-amino-N-(2-cyanoethyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide (CID 91261332) is 5-amino-N-(2-cyanoethyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide.

What is the SMILES notation for 5-amino-N-(2-cyanoethyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide?

The canonical SMILES for 5-amino-N-(2-cyanoethyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide is N#CCCN(Cc1cccnc1)C(=O)c1cc2nc(-c3ccco3)nn2c(N)n1.

What is the InChIKey of 5-amino-N-(2-cyanoethyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide?

The InChIKey is BSEQQUBHOZEBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O2/c20-6-3-8-26(12-13-4-1-7-22-11-13)18(28)14-10-16-24-17(15-5-2-9-29-15)25-27(16)19(21)23-14/h1-2,4-5,7,9-11H,3,8,12H2,(H2,21,23).

What are the key properties of 5-amino-N-(2-cyanoethyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide?

5-amino-N-(2-cyanoethyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-(2-cyanoethyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide is sourced from PubChem (CID 91261332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).