methyl 2-cyclopropyl-6-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]pyridine-3-carboxylate

C17H18N6O2 — CID 133460162

IUPACmethyl 2-cyclopropyl-6-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNc2ccc3nnc(C)n3n2)nc1C1CC1
InChIInChI=1S/C17H18N6O2/c1-10-20-21-15-8-7-14(22-23(10)15)18-9-12-5-6-13(17(24)25-2)16(19-12)11-3-4-11/h5-8,11H,3-4,9H2,1-2H3,(H,18,22)
InChIKeyVGLLDYCEOQUTSH-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.10
Rot. Bonds5

About methyl 2-cyclopropyl-6-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]pyridine-3-carboxylate

methyl 2-cyclopropyl-6-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]pyridine-3-carboxylate (PubChem CID 133460162) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is methyl 2-cyclopropyl-6-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-6-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]pyridine-3-carboxylate
PubChem CID133460162
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Namemethyl 2-cyclopropyl-6-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNc2ccc3nnc(C)n3n2)nc1C1CC1
InChIInChI=1S/C17H18N6O2/c1-10-20-21-15-8-7-14(22-23(10)15)18-9-12-5-6-13(17(24)25-2)16(19-12)11-3-4-11/h5-8,11H,3-4,9H2,1-2H3,(H,18,22)
InChIKeyVGLLDYCEOQUTSH-UHFFFAOYSA-N
XLogP2.10
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-cyclopropyl-6-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]pyridine-3-carboxylate 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 methyl 2-cyclopropyl-6-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-cyclopropyl-6-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]pyridine-3-carboxylate (CID 133460162) is methyl 2-cyclopropyl-6-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-cyclopropyl-6-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-cyclopropyl-6-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(CNc2ccc3nnc(C)n3n2)nc1C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-6-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]pyridine-3-carboxylate?
The InChIKey is VGLLDYCEOQUTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-10-20-21-15-8-7-14(22-23(10)15)18-9-12-5-6-13(17(24)25-2)16(19-12)11-3-4-11/h5-8,11H,3-4,9H2,1-2H3,(H,18,22).
What are the key properties of methyl 2-cyclopropyl-6-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]pyridine-3-carboxylate?
methyl 2-cyclopropyl-6-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]pyridine-3-carboxylate has a molecular weight of 338.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-6-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 133460162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).