3-methyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C18H20N8O — CID 75201817

IUPAC3-methyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCc1nnc2c(NC(C)C)cc(-c3cn(C)nc3Oc3ccccn3)nn12
InChIInChI=1S/C18H20N8O/c1-11(2)20-15-9-14(23-26-12(3)21-22-17(15)26)13-10-25(4)24-18(13)27-16-7-5-6-8-19-16/h5-11,20H,1-4H3
InChIKeyRRZAYHURVOLLEP-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.84
Rot. Bonds5

About 3-methyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

3-methyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 75201817) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-methyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound Name3-methyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID75201817
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name3-methyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCc1nnc2c(NC(C)C)cc(-c3cn(C)nc3Oc3ccccn3)nn12
InChIInChI=1S/C18H20N8O/c1-11(2)20-15-9-14(23-26-12(3)21-22-17(15)26)13-10-25(4)24-18(13)27-16-7-5-6-8-19-16/h5-11,20H,1-4H3
InChIKeyRRZAYHURVOLLEP-UHFFFAOYSA-N
XLogP2.84
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of 3-methyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 75201817) is 3-methyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for 3-methyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for 3-methyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is Cc1nnc2c(NC(C)C)cc(-c3cn(C)nc3Oc3ccccn3)nn12.
What is the InChIKey of 3-methyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is RRZAYHURVOLLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O/c1-11(2)20-15-9-14(23-26-12(3)21-22-17(15)26)13-10-25(4)24-18(13)27-16-7-5-6-8-19-16/h5-11,20H,1-4H3.
What are the key properties of 3-methyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
3-methyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 364.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 75201817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).