2-benzyl-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione

C19H18N4O3 — CID 16898262

IUPAC2-benzyl-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione
SMILESCOc1ccc(N2CCn3c2nn(Cc2ccccc2)c(=O)c3=O)cc1
InChIInChI=1S/C19H18N4O3/c1-26-16-9-7-15(8-10-16)21-11-12-22-17(24)18(25)23(20-19(21)22)13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3
InChIKeyDHPYITGJLBYOCW-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.61
Rot. Bonds4

About 2-benzyl-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione

2-benzyl-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione (PubChem CID 16898262) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-benzyl-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione.

Molecular Properties

Compound Name2-benzyl-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione
PubChem CID16898262
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-benzyl-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione
SMILESCOc1ccc(N2CCn3c2nn(Cc2ccccc2)c(=O)c3=O)cc1
InChIInChI=1S/C19H18N4O3/c1-26-16-9-7-15(8-10-16)21-11-12-22-17(24)18(25)23(20-19(21)22)13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3
InChIKeyDHPYITGJLBYOCW-UHFFFAOYSA-N
XLogP1.61
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)methyl]-8-(4-fluorophenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione
CID 16898191
2-(3,4-dioxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl)-N-methylacetamide
CID 16898063
2-[8-(4-methoxyphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40842952
8-(4-methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione
CID 11013115
3-benzyl-1-(4-methoxyphenyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 42654181
2-benzyl-4-methyl-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 44893769
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
3-(furan-2-yl)-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
CID 56669549
2-[(2-chlorophenyl)methyl]-6-(4-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 4885644
2-[(4-bromophenyl)methyl]-6-(4-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 44893747
2-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 4888977
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 1446260

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione?
The IUPAC name of 2-benzyl-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione (CID 16898262) is 2-benzyl-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione.
What is the SMILES notation for 2-benzyl-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione?
The canonical SMILES for 2-benzyl-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione is COc1ccc(N2CCn3c2nn(Cc2ccccc2)c(=O)c3=O)cc1.
What is the InChIKey of 2-benzyl-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione?
The InChIKey is DHPYITGJLBYOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-26-16-9-7-15(8-10-16)21-11-12-22-17(24)18(25)23(20-19(21)22)13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3.
What are the key properties of 2-benzyl-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione?
2-benzyl-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione has a molecular weight of 350.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione is sourced from PubChem (CID 16898262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).