2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide

C18H19N7O3 — CID 146039708

IUPAC2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide
SMILESNC(=O)Cc1nc(C2CCn3ncnc3C2)n(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C18H19N7O3/c19-15(26)9-16-22-18(11-3-4-24-17(7-11)20-10-21-24)25(23-16)12-1-2-13-14(8-12)28-6-5-27-13/h1-2,8,10-11H,3-7,9H2,(H2,19,26)
InChIKeyDLSJRJIARMUDGH-UHFFFAOYSA-N
MW381.40 g/mol
LogP0.39
Rot. Bonds4

About 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide

2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 146039708) has the molecular formula C18H19N7O3 and a molecular weight of 381.40 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide
PubChem CID146039708
Molecular FormulaC18H19N7O3
Molecular Weight381.40 g/mol
Exact Mass381.15
IUPAC Name2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide
SMILESNC(=O)Cc1nc(C2CCn3ncnc3C2)n(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C18H19N7O3/c19-15(26)9-16-22-18(11-3-4-24-17(7-11)20-10-21-24)25(23-16)12-1-2-13-14(8-12)28-6-5-27-13/h1-2,8,10-11H,3-7,9H2,(H2,19,26)
InChIKeyDLSJRJIARMUDGH-UHFFFAOYSA-N
XLogP0.39
TPSA122.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-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

2-[1-(2,3-dimethylphenyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide
CID 146040623
2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
CID 154819491
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(1-methyl-6-oxopyridazin-3-yl)-1,2,4-triazol-3-yl]acetamide
CID 72910998
4-[3-(2-amino-2-oxoethyl)-5-(1-cyclopentylpiperidin-4-yl)-1,2,4-triazol-1-yl]benzoic acid
CID 131910909
2-[5-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-1-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]acetamide
CID 133125692
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylpropyl)-5-(oxolan-3-yl)-1,2,4-triazole
CID 50968304
2-[5-[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-1-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]acetamide
CID 166615007
(1S,2S,4S)-2-amino-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyl-1,2,4-triazol-3-yl]cyclopentan-1-ol
CID 155502651
(5R)-5-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one
CID 164688937
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole
CID 131916591
4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-hydroxyethyl)-1,2,4-triazol-3-yl]benzamide
CID 72882531
formic acid;2-[1-(2-phenylethyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
CID 155937887

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide (CID 146039708) is 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide is NC(=O)Cc1nc(C2CCn3ncnc3C2)n(-c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is DLSJRJIARMUDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O3/c19-15(26)9-16-22-18(11-3-4-24-17(7-11)20-10-21-24)25(23-16)12-1-2-13-14(8-12)28-6-5-27-13/h1-2,8,10-11H,3-7,9H2,(H2,19,26).
What are the key properties of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide?
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 381.40 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 146039708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).