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

C21H18N6O2 — CID 43971585

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

N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]oxolane-2-carboxamide (PubChem CID 43971585) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]oxolane-2-carboxamide
• PubChem CID: 43971585
• Molecular Formula: C21H18N6O2
• Molecular Weight: 386.42 g/mol
• Exact Mass: 386.15
• IUPAC Name: N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]oxolane-2-carboxamide
• SMILES: O=C(Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1)C1CCCO1
• InChI: InChI=1S/C21H18N6O2/c28-21(18-5-2-12-29-18)23-16-4-1-3-15(13-16)17-6-7-19-24-25-20(27(19)26-17)14-8-10-22-11-9-14/h1,3-4,6-11,13,18H,2,5,12H2,(H,23,28)
• InChIKey: DIWZAMPUXSPNSO-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 94.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.42
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]oxolane-2-carboxamide (CID 43971585) is N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]oxolane-2-carboxamide.

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

The canonical SMILES for N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]oxolane-2-carboxamide is O=C(Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1)C1CCCO1.

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

The InChIKey is DIWZAMPUXSPNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c28-21(18-5-2-12-29-18)23-16-4-1-3-15(13-16)17-6-7-19-24-25-20(27(19)26-17)14-8-10-22-11-9-14/h1,3-4,6-11,13,18H,2,5,12H2,(H,23,28).

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

N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]oxolane-2-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 43971585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).