2-[8-(4-methylphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]acetamide

C14H15N5O3 — CID 16898433

IUPAC2-[8-(4-methylphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]acetamide
SMILESCc1ccc(N2CCn3c2nn(CC(N)=O)c(=O)c3=O)cc1
InChIInChI=1S/C14H15N5O3/c1-9-2-4-10(5-3-9)17-6-7-18-12(21)13(22)19(8-11(15)20)16-14(17)18/h2-5H,6-8H2,1H3,(H2,15,20)
InChIKeyVDFCDBPHJZNQFB-UHFFFAOYSA-N
MW301.31 g/mol
LogP-0.65
Rot. Bonds3

About 2-[8-(4-methylphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]acetamide

2-[8-(4-methylphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]acetamide (PubChem CID 16898433) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-[8-(4-methylphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]acetamide.

Molecular Properties

Compound Name2-[8-(4-methylphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]acetamide
PubChem CID16898433
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name2-[8-(4-methylphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]acetamide
SMILESCc1ccc(N2CCn3c2nn(CC(N)=O)c(=O)c3=O)cc1
InChIInChI=1S/C14H15N5O3/c1-9-2-4-10(5-3-9)17-6-7-18-12(21)13(22)19(8-11(15)20)16-14(17)18/h2-5H,6-8H2,1H3,(H2,15,20)
InChIKeyVDFCDBPHJZNQFB-UHFFFAOYSA-N
XLogP-0.65
TPSA103.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

8-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione
CID 16898427
N-(2-methylphenyl)-2-[8-(4-methylphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]acetamide
CID 16898436
N-(5-methyl-1,2-oxazol-3-yl)-2-[8-(4-methylphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]acetamide
CID 16898480
2-(3,4-dioxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl)-N-methylacetamide
CID 16898063
N-(3,5-dimethylphenyl)-2-[8-(4-fluorophenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]acetamide
CID 16898109
N-ethyl-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
CID 16861128
N-[(2S)-butan-2-yl]-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
CID 42477165
N-(3,4-dimethoxyphenyl)-2-(3,4-dioxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl)acetamide
CID 16898019
N-(4-bromophenyl)-2-[8-(4-ethoxyphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]acetamide
CID 16898406
8-(4-ethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione
CID 16898320
methyl 4-[[2-(3,4-dioxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl)acetyl]amino]benzoate
CID 16898030
2-(3,4-dioxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl)-N-(2-ethoxyphenyl)acetamide
CID 16898015

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-methylphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]acetamide?
The IUPAC name of 2-[8-(4-methylphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]acetamide (CID 16898433) is 2-[8-(4-methylphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]acetamide.
What is the SMILES notation for 2-[8-(4-methylphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]acetamide?
The canonical SMILES for 2-[8-(4-methylphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]acetamide is Cc1ccc(N2CCn3c2nn(CC(N)=O)c(=O)c3=O)cc1.
What is the InChIKey of 2-[8-(4-methylphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]acetamide?
The InChIKey is VDFCDBPHJZNQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-9-2-4-10(5-3-9)17-6-7-18-12(21)13(22)19(8-11(15)20)16-14(17)18/h2-5H,6-8H2,1H3,(H2,15,20).
What are the key properties of 2-[8-(4-methylphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]acetamide?
2-[8-(4-methylphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]acetamide has a molecular weight of 301.31 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-methylphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]acetamide is sourced from PubChem (CID 16898433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).