N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylcyclopentanecarboxamide

C19H26N6O — CID 126922102

IUPACN-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylcyclopentanecarboxamide
SMILESCN(C(=O)C1CCCC1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1
InChIInChI=1S/C19H26N6O/c1-23(19(26)14-5-2-3-6-14)15-11-24(12-15)17-10-9-16-20-21-18(25(16)22-17)13-7-4-8-13/h9-10,13-15H,2-8,11-12H2,1H3
InChIKeyXLJUKTOKXMGLIC-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.23
Rot. Bonds4

About N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylcyclopentanecarboxamide

N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylcyclopentanecarboxamide (PubChem CID 126922102) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylcyclopentanecarboxamide
PubChem CID126922102
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylcyclopentanecarboxamide
SMILESCN(C(=O)C1CCCC1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1
InChIInChI=1S/C19H26N6O/c1-23(19(26)14-5-2-3-6-14)15-11-24(12-15)17-10-9-16-20-21-18(25(16)22-17)13-7-4-8-13/h9-10,13-15H,2-8,11-12H2,1H3
InChIKeyXLJUKTOKXMGLIC-UHFFFAOYSA-N
XLogP2.23
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylcyclopentanecarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylpiperidine-3-carboxamide
CID 126922126
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,2,5-trimethylfuran-3-carboxamide
CID 126922104
N-(cyclobutylmethyl)-1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methylazetidin-3-amine
CID 126922316
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 126922127
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylethanesulfonamide
CID 134161090
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 134161459
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylpyrimidin-2-amine
CID 126922171
7-[[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]azepan-2-one
CID 126922222
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 126922204
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(oxolan-2-ylmethyl)azetidin-3-amine
CID 126922324
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,3-dimethylpyrazin-2-amine
CID 126922208
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 126922209

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylcyclopentanecarboxamide?
The IUPAC name of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylcyclopentanecarboxamide (CID 126922102) is N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylcyclopentanecarboxamide.
What is the SMILES notation for N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylcyclopentanecarboxamide?
The canonical SMILES for N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylcyclopentanecarboxamide is CN(C(=O)C1CCCC1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1.
What is the InChIKey of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylcyclopentanecarboxamide?
The InChIKey is XLJUKTOKXMGLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-23(19(26)14-5-2-3-6-14)15-11-24(12-15)17-10-9-16-20-21-18(25(16)22-17)13-7-4-8-13/h9-10,13-15H,2-8,11-12H2,1H3.
What are the key properties of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylcyclopentanecarboxamide?
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylcyclopentanecarboxamide has a molecular weight of 354.46 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylcyclopentanecarboxamide is sourced from PubChem (CID 126922102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).