3-cyclopropyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C17H17N7 — CID 133296676

About 3-cyclopropyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-cyclopropyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133296676) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

• Compound Name: 3-cyclopropyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
• PubChem CID: 133296676
• Molecular Formula: C17H17N7
• Molecular Weight: 319.37 g/mol
• Exact Mass: 319.15
• IUPAC Name: 3-cyclopropyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
• SMILES: Cc1cccc2nc(CNc3ccc4nnc(C5CC5)n4n3)cn12
• InChI: InChI=1S/C17H17N7/c1-11-3-2-4-15-19-13(10-23(11)15)9-18-14-7-8-16-20-21-17(12-5-6-12)24(16)22-14/h2-4,7-8,10,12H,5-6,9H2,1H3,(H,18,22)
• InChIKey: GLXXLROLNGWPHH-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 72.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.37
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?

The IUPAC name of 3-cyclopropyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133296676) is 3-cyclopropyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

What is the SMILES notation for 3-cyclopropyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?

The canonical SMILES for 3-cyclopropyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1cccc2nc(CNc3ccc4nnc(C5CC5)n4n3)cn12.

What is the InChIKey of 3-cyclopropyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?

The InChIKey is GLXXLROLNGWPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c1-11-3-2-4-15-19-13(10-23(11)15)9-18-14-7-8-16-20-21-17(12-5-6-12)24(16)22-14/h2-4,7-8,10,12H,5-6,9H2,1H3,(H,18,22).

What are the key properties of 3-cyclopropyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?

3-cyclopropyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 319.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133296676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).