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

C15H20N6O2 — CID 121181824

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

N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide (PubChem CID 121181824) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide
• PubChem CID: 121181824
• Molecular Formula: C15H20N6O2
• Molecular Weight: 316.37 g/mol
• Exact Mass: 316.16
• IUPAC Name: N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide
• SMILES: O=C(NCc1nnc2ccc(N3CCCC3)nn12)C1CCOC1
• InChI: InChI=1S/C15H20N6O2/c22-15(11-5-8-23-10-11)16-9-14-18-17-12-3-4-13(19-21(12)14)20-6-1-2-7-20/h3-4,11H,1-2,5-10H2,(H,16,22)
• InChIKey: ULXNYYOEHFEJGC-UHFFFAOYSA-N
• XLogP: 0.38
• TPSA: 84.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.37
LogP ≤ 5	0.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide (CID 121181824) is N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide.

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

The canonical SMILES for N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide is O=C(NCc1nnc2ccc(N3CCCC3)nn12)C1CCOC1.

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

The InChIKey is ULXNYYOEHFEJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c22-15(11-5-8-23-10-11)16-9-14-18-17-12-3-4-13(19-21(12)14)20-6-1-2-7-20/h3-4,11H,1-2,5-10H2,(H,16,22).

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

N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 121181824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).