N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,2,5-trimethylfuran-3-carboxamide

C20H24N6O2 — CID 126922104

IUPACN-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,2,5-trimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)c(C)o1
InChIInChI=1S/C20H24N6O2/c1-12-9-16(13(2)28-12)20(27)24(3)15-10-25(11-15)18-8-7-17-21-22-19(26(17)23-18)14-5-4-6-14/h7-9,14-15H,4-6,10-11H2,1-3H3
InChIKeyQHETYBJZFKTDNE-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.56
Rot. Bonds4

About N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,2,5-trimethylfuran-3-carboxamide

N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,2,5-trimethylfuran-3-carboxamide (PubChem CID 126922104) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,2,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,2,5-trimethylfuran-3-carboxamide
PubChem CID126922104
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC NameN-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,2,5-trimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)c(C)o1
InChIInChI=1S/C20H24N6O2/c1-12-9-16(13(2)28-12)20(27)24(3)15-10-25(11-15)18-8-7-17-21-22-19(26(17)23-18)14-5-4-6-14/h7-9,14-15H,4-6,10-11H2,1-3H3
InChIKeyQHETYBJZFKTDNE-UHFFFAOYSA-N
XLogP2.56
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,2,5-trimethylfuran-3-carboxamide 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-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,2,5-trimethylfuran-3-carboxamide?
The IUPAC name of 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) is N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,2,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,2,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,2,5-trimethylfuran-3-carboxamide is Cc1cc(C(=O)N(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)c(C)o1.
What is the InChIKey of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,2,5-trimethylfuran-3-carboxamide?
The InChIKey is QHETYBJZFKTDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-12-9-16(13(2)28-12)20(27)24(3)15-10-25(11-15)18-8-7-17-21-22-19(26(17)23-18)14-5-4-6-14/h7-9,14-15H,4-6,10-11H2,1-3H3.
What are the key properties of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,2,5-trimethylfuran-3-carboxamide?
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,2,5-trimethylfuran-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 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,2,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 126922104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).