N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[8-[methyl(propyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

C19H22N6O4 — CID 53142609

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[8-[methyl(propyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
SMILESCCCN(C)c1nccn2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)nc12
InChIInChI=1S/C19H22N6O4/c1-3-7-23(2)17-18-22-25(19(27)24(18)8-6-20-17)12-16(26)21-13-4-5-14-15(11-13)29-10-9-28-14/h4-6,8,11H,3,7,9-10,12H2,1-2H3,(H,21,26)
InChIKeyFUWDGLCFTMGZCN-UHFFFAOYSA-N
MW398.42 g/mol
LogP1.15
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[8-[methyl(propyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[8-[methyl(propyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide (PubChem CID 53142609) has the molecular formula C19H22N6O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[8-[methyl(propyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[8-[methyl(propyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
PubChem CID53142609
Molecular FormulaC19H22N6O4
Molecular Weight398.42 g/mol
Exact Mass398.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[8-[methyl(propyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
SMILESCCCN(C)c1nccn2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)nc12
InChIInChI=1S/C19H22N6O4/c1-3-7-23(2)17-18-22-25(19(27)24(18)8-6-20-17)12-16(26)21-13-4-5-14-15(11-13)29-10-9-28-14/h4-6,8,11H,3,7,9-10,12H2,1-2H3,(H,21,26)
InChIKeyFUWDGLCFTMGZCN-UHFFFAOYSA-N
XLogP1.15
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[8-[methyl(propyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide 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-benzodioxol-5-yl)-2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 51364865
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53020137
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrol-1-ylacetamide
CID 110688633
2-butylsulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 31848144
2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43236461
N-(3-chloro-4-methylphenyl)-2-[8-[(3S)-3-methylpiperidin-1-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 94215719
2-[8-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(4-methylphenyl)acetamide
CID 95095023
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-imidazol-1-ylbutanamide
CID 46340042
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2498407
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 2425463
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17454179
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 95807337

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[8-[methyl(propyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[8-[methyl(propyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide (CID 53142609) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[8-[methyl(propyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[8-[methyl(propyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[8-[methyl(propyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide is CCCN(C)c1nccn2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)nc12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[8-[methyl(propyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?
The InChIKey is FUWDGLCFTMGZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4/c1-3-7-23(2)17-18-22-25(19(27)24(18)8-6-20-17)12-16(26)21-13-4-5-14-15(11-13)29-10-9-28-14/h4-6,8,11H,3,7,9-10,12H2,1-2H3,(H,21,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[8-[methyl(propyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[8-[methyl(propyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide has a molecular weight of 398.42 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[8-[methyl(propyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide is sourced from PubChem (CID 53142609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).