N-(3-chlorophenyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C18H15ClN6O — CID 59339297

About N-(3-chlorophenyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-(3-chlorophenyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 59339297) has the molecular formula C18H15ClN6O and a molecular weight of 366.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
• PubChem CID: 59339297
• Molecular Formula: C18H15ClN6O
• Molecular Weight: 366.81 g/mol
• Exact Mass: 366.10
• IUPAC Name: N-(3-chlorophenyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
• SMILES: Cc1ccc(OCc2nnc3ccc(Nc4cccc(Cl)c4)nn23)cn1
• InChI: InChI=1S/C18H15ClN6O/c1-12-5-6-15(10-20-12)26-11-18-23-22-17-8-7-16(24-25(17)18)21-14-4-2-3-13(19)9-14/h2-10H,11H2,1H3,(H,21,24)
• InChIKey: CMXZRSSIONUZKJ-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 77.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.81
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?

The IUPAC name of N-(3-chlorophenyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 59339297) is N-(3-chlorophenyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

What is the SMILES notation for N-(3-chlorophenyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?

The canonical SMILES for N-(3-chlorophenyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1ccc(OCc2nnc3ccc(Nc4cccc(Cl)c4)nn23)cn1.

What is the InChIKey of N-(3-chlorophenyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?

The InChIKey is CMXZRSSIONUZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O/c1-12-5-6-15(10-20-12)26-11-18-23-22-17-8-7-16(24-25(17)18)21-14-4-2-3-13(19)9-14/h2-10H,11H2,1H3,(H,21,24).

What are the key properties of N-(3-chlorophenyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?

N-(3-chlorophenyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 366.81 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 59339297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).