N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide

C16H17N5O — CID 7532156

IUPACN-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C16H17N5O/c1-2-3-7-16(22)18-13-6-4-5-12(10-13)14-8-9-15-19-17-11-21(15)20-14/h4-6,8-11H,2-3,7H2,1H3,(H,18,22)
InChIKeyCWXYVKCBKPQVTF-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.92
Rot. Bonds5

About N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide

N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide (PubChem CID 7532156) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide.

Molecular Properties

Compound NameN-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide
PubChem CID7532156
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C16H17N5O/c1-2-3-7-16(22)18-13-6-4-5-12(10-13)14-8-9-15-19-17-11-21(15)20-14/h4-6,8-11H,2-3,7H2,1H3,(H,18,22)
InChIKeyCWXYVKCBKPQVTF-UHFFFAOYSA-N
XLogP2.92
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide 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

Zaleplon
CID 5719
N-(3-((4-Amino-1-cyclopentyl-1H-pyrazolo(3,4-d)pyrimidin-3-yl)methyl)phenyl)-N'-(3-(trifluoromethyl)phenyl)urea
CID 25011744
1-{4-[4-Amino-1-(1-Methylethyl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl]phenyl}-3-[3-(Trifluoromethyl)phenyl]urea
CID 25011745
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide
CID 25138072
N-Methyl-N-(3-(6-Phenyl(1,2,4)Triazolo(4,3-B)Pyridazin-3-Yl)Phenyl)Acetamide
CID 5287936
2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 936600
N-[3-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]benzamide
CID 4615292
N-Desesethylzaleplon
CID 9993635
2-[5,7-Dimethyl-2-(pyridin-3-YL)-[1,2,4]triazolo[1,5-A]pyrimidin-6-YL]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 50750207
5-methyl-N-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 743043
N-(4-fluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263430
N-(3-{4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}phenyl)butanamide
CID 90795938

Frequently Asked Questions

What is the IUPAC name of N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide?
The IUPAC name of N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide (CID 7532156) is N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide.
What is the SMILES notation for N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide?
The canonical SMILES for N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide is CCCCC(=O)Nc1cccc(-c2ccc3nncn3n2)c1.
What is the InChIKey of N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide?
The InChIKey is CWXYVKCBKPQVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-2-3-7-16(22)18-13-6-4-5-12(10-13)14-8-9-15-19-17-11-21(15)20-14/h4-6,8-11H,2-3,7H2,1H3,(H,18,22).
What are the key properties of N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide?
N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide has a molecular weight of 295.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide is sourced from PubChem (CID 7532156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).