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

C15H20N6O3S — CID 129417407

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

(3R)-1,1-dioxo-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]thiolane-3-carboxamide (PubChem CID 129417407) has the molecular formula C15H20N6O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is (3R)-1,1-dioxo-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]thiolane-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1,1-dioxo-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]thiolane-3-carboxamide
• PubChem CID: 129417407
• Molecular Formula: C15H20N6O3S
• Molecular Weight: 364.43 g/mol
• Exact Mass: 364.13
• IUPAC Name: (3R)-1,1-dioxo-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]thiolane-3-carboxamide
• SMILES: O=C(NCc1nnc2ccc(N3CCCC3)nn12)[C@H]1CCS(=O)(=O)C1
• InChI: InChI=1S/C15H20N6O3S/c22-15(11-5-8-25(23,24)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)/t11-/m0/s1
• InChIKey: OLHWWFLUDVKXIB-NSHDSACASA-N
• XLogP: -0.22
• TPSA: 109.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.43
LogP ≤ 5	-0.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (3R)-1,1-dioxo-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]thiolane-3-carboxamide (CID 129417407) is (3R)-1,1-dioxo-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]thiolane-3-carboxamide.

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

The canonical SMILES for (3R)-1,1-dioxo-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]thiolane-3-carboxamide is O=C(NCc1nnc2ccc(N3CCCC3)nn12)[C@H]1CCS(=O)(=O)C1.

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

The InChIKey is OLHWWFLUDVKXIB-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N6O3S/c22-15(11-5-8-25(23,24)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)/t11-/m0/s1.

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

(3R)-1,1-dioxo-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]thiolane-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1,1-dioxo-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]thiolane-3-carboxamide is sourced from PubChem (CID 129417407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).