N-(2,5-dimethylphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide

C18H21N5O — CID 20950301

IUPACN-(2,5-dimethylphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCc2c(C)nn3cnnc3c2C)c1
InChIInChI=1S/C18H21N5O/c1-11-5-6-12(2)16(9-11)20-17(24)8-7-15-13(3)18-21-19-10-23(18)22-14(15)4/h5-6,9-10H,7-8H2,1-4H3,(H,20,24)
InChIKeyJBXWLOJQQVTWKB-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.93
Rot. Bonds4

About N-(2,5-dimethylphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide

N-(2,5-dimethylphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide (PubChem CID 20950301) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide
PubChem CID20950301
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-(2,5-dimethylphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCc2c(C)nn3cnnc3c2C)c1
InChIInChI=1S/C18H21N5O/c1-11-5-6-12(2)16(9-11)20-17(24)8-7-15-13(3)18-21-19-10-23(18)22-14(15)4/h5-6,9-10H,7-8H2,1-4H3,(H,20,24)
InChIKeyJBXWLOJQQVTWKB-UHFFFAOYSA-N
XLogP2.93
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dimethylphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide 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

3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-pyridin-2-ylpropanamide
CID 56762060
N-(3,5-dimethoxyphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide
CID 20950279
N-[4-(cyanomethyl)phenyl]-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide
CID 46341445
3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 46341423
3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(5-fluoro-2-methylphenyl)propanamide
CID 53093115
N-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 110388753
N-(2,5-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide
CID 110857318
3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide
CID 28713053
N-(2,4-dimethylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 8776996
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]butanamide
CID 113046269
N-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020877
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide (CID 20950301) is N-(2,5-dimethylphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide is Cc1ccc(C)c(NC(=O)CCc2c(C)nn3cnnc3c2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide?
The InChIKey is JBXWLOJQQVTWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-11-5-6-12(2)16(9-11)20-17(24)8-7-15-13(3)18-21-19-10-23(18)22-14(15)4/h5-6,9-10H,7-8H2,1-4H3,(H,20,24).
What are the key properties of N-(2,5-dimethylphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide?
N-(2,5-dimethylphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide has a molecular weight of 323.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide is sourced from PubChem (CID 20950301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).