4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one

C18H15N3O3 — CID 46831812

About 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one

4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one (PubChem CID 46831812) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one.

Molecular Properties

• Compound Name: 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one
• PubChem CID: 46831812
• Molecular Formula: C18H15N3O3
• Molecular Weight: 321.34 g/mol
• Exact Mass: 321.11
• IUPAC Name: 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one
• SMILES: COc1ccc(-c2cccc3c2COC3=O)n2nc(C3CC3)nc12
• InChI: InChI=1S/C18H15N3O3/c1-23-15-8-7-14(21-17(15)19-16(20-21)10-5-6-10)11-3-2-4-12-13(11)9-24-18(12)22/h2-4,7-8,10H,5-6,9H2,1H3
• InChIKey: BGBJZTHWGMYMOZ-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 65.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.34
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one?

The IUPAC name of 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one (CID 46831812) is 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one.

What is the SMILES notation for 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one?

The canonical SMILES for 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one is COc1ccc(-c2cccc3c2COC3=O)n2nc(C3CC3)nc12.

What is the InChIKey of 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one?

The InChIKey is BGBJZTHWGMYMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-23-15-8-7-14(21-17(15)19-16(20-21)10-5-6-10)11-3-2-4-12-13(11)9-24-18(12)22/h2-4,7-8,10H,5-6,9H2,1H3.

What are the key properties of 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one?

4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one has a molecular weight of 321.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 46831812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).