N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C24H30N8O2 — CID 75201687

IUPACN-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCOCCN1CCC(Nc2cc(-c3cnn(C)c3Oc3ccccc3)nn3c(C)nnc23)CC1
InChIInChI=1S/C24H30N8O2/c1-17-27-28-23-22(26-18-9-11-31(12-10-18)13-14-33-3)15-21(29-32(17)23)20-16-25-30(2)24(20)34-19-7-5-4-6-8-19/h4-8,15-16,18,26H,9-14H2,1-3H3
InChIKeyPJTPCQIRWHWEQQ-UHFFFAOYSA-N
MW462.56 g/mol
LogP3.15
Rot. Bonds8

About N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 75201687) has the molecular formula C24H30N8O2 and a molecular weight of 462.56 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID75201687
Molecular FormulaC24H30N8O2
Molecular Weight462.56 g/mol
Exact Mass462.25
IUPAC NameN-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCOCCN1CCC(Nc2cc(-c3cnn(C)c3Oc3ccccc3)nn3c(C)nnc23)CC1
InChIInChI=1S/C24H30N8O2/c1-17-27-28-23-22(26-18-9-11-31(12-10-18)13-14-33-3)15-21(29-32(17)23)20-16-25-30(2)24(20)34-19-7-5-4-6-8-19/h4-8,15-16,18,26H,9-14H2,1-3H3
InChIKeyPJTPCQIRWHWEQQ-UHFFFAOYSA-N
XLogP3.15
TPSA94.63 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 75201687) is N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is COCCN1CCC(Nc2cc(-c3cnn(C)c3Oc3ccccc3)nn3c(C)nnc23)CC1.
What is the InChIKey of N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is PJTPCQIRWHWEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O2/c1-17-27-28-23-22(26-18-9-11-31(12-10-18)13-14-33-3)15-21(29-32(17)23)20-16-25-30(2)24(20)34-19-7-5-4-6-8-19/h4-8,15-16,18,26H,9-14H2,1-3H3.
What are the key properties of N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 462.56 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 75201687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).