8-(4-methylphenyl)-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione

C12H12N4O2 — CID 11436484

IUPAC8-(4-methylphenyl)-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione
SMILESCc1ccc(N2CCn3c2n[nH]c(=O)c3=O)cc1
InChIInChI=1S/C12H12N4O2/c1-8-2-4-9(5-3-8)15-6-7-16-11(18)10(17)13-14-12(15)16/h2-5H,6-7H2,1H3,(H,13,17)
InChIKeyFLHCWVXDKYDBLD-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.39
Rot. Bonds1

About 8-(4-methylphenyl)-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione

8-(4-methylphenyl)-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione (PubChem CID 11436484) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 8-(4-methylphenyl)-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione.

Molecular Properties

Compound Name8-(4-methylphenyl)-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione
PubChem CID11436484
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name8-(4-methylphenyl)-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione
SMILESCc1ccc(N2CCn3c2n[nH]c(=O)c3=O)cc1
InChIInChI=1S/C12H12N4O2/c1-8-2-4-9(5-3-8)15-6-7-16-11(18)10(17)13-14-12(15)16/h2-5H,6-7H2,1H3,(H,13,17)
InChIKeyFLHCWVXDKYDBLD-UHFFFAOYSA-N
XLogP0.39
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylphenyl)-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione?
The IUPAC name of 8-(4-methylphenyl)-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione (CID 11436484) is 8-(4-methylphenyl)-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione.
What is the SMILES notation for 8-(4-methylphenyl)-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione?
The canonical SMILES for 8-(4-methylphenyl)-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione is Cc1ccc(N2CCn3c2n[nH]c(=O)c3=O)cc1.
What is the InChIKey of 8-(4-methylphenyl)-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione?
The InChIKey is FLHCWVXDKYDBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-8-2-4-9(5-3-8)15-6-7-16-11(18)10(17)13-14-12(15)16/h2-5H,6-7H2,1H3,(H,13,17).
What are the key properties of 8-(4-methylphenyl)-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione?
8-(4-methylphenyl)-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione has a molecular weight of 244.25 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylphenyl)-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione is sourced from PubChem (CID 11436484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).