3-methyl-2-[1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one

C20H21N7O — CID 126949612

About 3-methyl-2-[1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one

3-methyl-2-[1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126949612) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 3-methyl-2-[1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

• Compound Name: 3-methyl-2-[1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
• PubChem CID: 126949612
• Molecular Formula: C20H21N7O
• Molecular Weight: 375.44 g/mol
• Exact Mass: 375.18
• IUPAC Name: 3-methyl-2-[1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
• SMILES: Cc1ccc2nnc(CN3CCCC3c3nc4ccccc4c(=O)n3C)n2n1
• InChI: InChI=1S/C20H21N7O/c1-13-9-10-17-22-23-18(27(17)24-13)12-26-11-5-8-16(26)19-21-15-7-4-3-6-14(15)20(28)25(19)2/h3-4,6-7,9-10,16H,5,8,11-12H2,1-2H3
• InChIKey: LNTZPXQCPPAOFQ-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 81.21 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.44
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-methyl-2-[1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one (CID 126949612) is 3-methyl-2-[1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one.

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

The canonical SMILES for 3-methyl-2-[1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one is Cc1ccc2nnc(CN3CCCC3c3nc4ccccc4c(=O)n3C)n2n1.

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

The InChIKey is LNTZPXQCPPAOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-13-9-10-17-22-23-18(27(17)24-13)12-26-11-5-8-16(26)19-21-15-7-4-3-6-14(15)20(28)25(19)2/h3-4,6-7,9-10,16H,5,8,11-12H2,1-2H3.

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

3-methyl-2-[1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 375.44 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-2-[1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126949612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).