N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indazole-3-carboxamide

C18H18N8O — CID 126921173

About N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indazole-3-carboxamide

N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indazole-3-carboxamide (PubChem CID 126921173) has the molecular formula C18H18N8O and a molecular weight of 362.40 g/mol. Its IUPAC name is N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indazole-3-carboxamide
• PubChem CID: 126921173
• Molecular Formula: C18H18N8O
• Molecular Weight: 362.40 g/mol
• Exact Mass: 362.16
• IUPAC Name: N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indazole-3-carboxamide
• SMILES: Cc1nnc2ccc(N3CC(N(C)C(=O)c4n[nH]c5ccccc45)C3)nn12
• InChI: InChI=1S/C18H18N8O/c1-11-19-21-15-7-8-16(23-26(11)15)25-9-12(10-25)24(2)18(27)17-13-5-3-4-6-14(13)20-22-17/h3-8,12H,9-10H2,1-2H3,(H,20,22)
• InChIKey: JISBKTYYIFDIKJ-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 95.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.40
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indazole-3-carboxamide (CID 126921173) is N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indazole-3-carboxamide.

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

The canonical SMILES for N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indazole-3-carboxamide is Cc1nnc2ccc(N3CC(N(C)C(=O)c4n[nH]c5ccccc45)C3)nn12.

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

The InChIKey is JISBKTYYIFDIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O/c1-11-19-21-15-7-8-16(23-26(11)15)25-9-12(10-25)24(2)18(27)17-13-5-3-4-6-14(13)20-22-17/h3-8,12H,9-10H2,1-2H3,(H,20,22).

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

N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indazole-3-carboxamide has a molecular weight of 362.40 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 126921173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).