N-(3,4-dimethoxyphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide

C17H18N4O4 — CID 22514418

IUPACN-(3,4-dimethoxyphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C)n3cccc3c2=O)cc1OC
InChIInChI=1S/C17H18N4O4/c1-11-19-21(17(23)13-5-4-8-20(11)13)10-16(22)18-12-6-7-14(24-2)15(9-12)25-3/h4-9H,10H2,1-3H3,(H,18,22)
InChIKeyJHGKHNPHGNWKOV-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.46
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide

N-(3,4-dimethoxyphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (PubChem CID 22514418) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
PubChem CID22514418
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C)n3cccc3c2=O)cc1OC
InChIInChI=1S/C17H18N4O4/c1-11-19-21(17(23)13-5-4-8-20(11)13)10-16(22)18-12-6-7-14(24-2)15(9-12)25-3/h4-9H,10H2,1-3H3,(H,18,22)
InChIKeyJHGKHNPHGNWKOV-UHFFFAOYSA-N
XLogP1.46
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (CID 22514418) is N-(3,4-dimethoxyphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is COc1ccc(NC(=O)Cn2nc(C)n3cccc3c2=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The InChIKey is JHGKHNPHGNWKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-11-19-21(17(23)13-5-4-8-20(11)13)10-16(22)18-12-6-7-14(24-2)15(9-12)25-3/h4-9H,10H2,1-3H3,(H,18,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
N-(3,4-dimethoxyphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide has a molecular weight of 342.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is sourced from PubChem (CID 22514418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).