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

C20H17N5O2S — CID 43971703

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

N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]oxolane-2-carboxamide (PubChem CID 43971703) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]oxolane-2-carboxamide
• PubChem CID: 43971703
• Molecular Formula: C20H17N5O2S
• Molecular Weight: 391.46 g/mol
• Exact Mass: 391.11
• IUPAC Name: N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]oxolane-2-carboxamide
• SMILES: O=C(Nc1ccc(-c2ccc3nnc(-c4cccs4)n3n2)cc1)C1CCCO1
• InChI: InChI=1S/C20H17N5O2S/c26-20(16-3-1-11-27-16)21-14-7-5-13(6-8-14)15-9-10-18-22-23-19(25(18)24-15)17-4-2-12-28-17/h2,4-10,12,16H,1,3,11H2,(H,21,26)
• InChIKey: XADYOIIHGWUHRO-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 81.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.46
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]oxolane-2-carboxamide (CID 43971703) is N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]oxolane-2-carboxamide.

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

The canonical SMILES for N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(-c2ccc3nnc(-c4cccs4)n3n2)cc1)C1CCCO1.

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

The InChIKey is XADYOIIHGWUHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c26-20(16-3-1-11-27-16)21-14-7-5-13(6-8-14)15-9-10-18-22-23-19(25(18)24-15)17-4-2-12-28-17/h2,4-10,12,16H,1,3,11H2,(H,21,26).

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

N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]oxolane-2-carboxamide has a molecular weight of 391.46 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 43971703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).