6-oxo-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide

C22H14N6O3 — CID 121036477

About 6-oxo-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide

6-oxo-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide (PubChem CID 121036477) has the molecular formula C22H14N6O3 and a molecular weight of 410.39 g/mol. Its IUPAC name is 6-oxo-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide.

Molecular Properties

• Compound Name: 6-oxo-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide
• PubChem CID: 121036477
• Molecular Formula: C22H14N6O3
• Molecular Weight: 410.39 g/mol
• Exact Mass: 410.11
• IUPAC Name: 6-oxo-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide
• SMILES: O=C(Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1)c1ccc(=O)oc1
• InChI: InChI=1S/C22H14N6O3/c29-20-7-4-16(13-31-20)22(30)24-17-3-1-2-15(12-17)18-5-6-19-25-26-21(28(19)27-18)14-8-10-23-11-9-14/h1-13H,(H,24,30)
• InChIKey: HMTYHXFMQFMDKT-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 115.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.39
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide?

The IUPAC name of 6-oxo-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide (CID 121036477) is 6-oxo-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide.

What is the SMILES notation for 6-oxo-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide?

The canonical SMILES for 6-oxo-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide is O=C(Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1)c1ccc(=O)oc1.

What is the InChIKey of 6-oxo-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide?

The InChIKey is HMTYHXFMQFMDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N6O3/c29-20-7-4-16(13-31-20)22(30)24-17-3-1-2-15(12-17)18-5-6-19-25-26-21(28(19)27-18)14-8-10-23-11-9-14/h1-13H,(H,24,30).

What are the key properties of 6-oxo-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide?

6-oxo-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide has a molecular weight of 410.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-oxo-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide is sourced from PubChem (CID 121036477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).