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

C11H10N4O2 — CID 11379213

IUPAC8-phenyl-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione
SMILESO=c1[nH]nc2n(c1=O)CCN2c1ccccc1
InChIInChI=1S/C11H10N4O2/c16-9-10(17)15-7-6-14(11(15)13-12-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,16)
InChIKeyHHXMKBWNMAMAOR-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.08
Rot. Bonds1

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

8-phenyl-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione (PubChem CID 11379213) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 8-phenyl-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione.

Molecular Properties

Compound Name8-phenyl-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione
PubChem CID11379213
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name8-phenyl-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione
SMILESO=c1[nH]nc2n(c1=O)CCN2c1ccccc1
InChIInChI=1S/C11H10N4O2/c16-9-10(17)15-7-6-14(11(15)13-12-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,16)
InChIKeyHHXMKBWNMAMAOR-UHFFFAOYSA-N
XLogP0.08
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.08
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-phenyl-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione?
The IUPAC name of 8-phenyl-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione (CID 11379213) is 8-phenyl-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione.
What is the SMILES notation for 8-phenyl-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione?
The canonical SMILES for 8-phenyl-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione is O=c1[nH]nc2n(c1=O)CCN2c1ccccc1.
What is the InChIKey of 8-phenyl-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione?
The InChIKey is HHXMKBWNMAMAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c16-9-10(17)15-7-6-14(11(15)13-12-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,16).
What are the key properties of 8-phenyl-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione?
8-phenyl-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione has a molecular weight of 230.23 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione is sourced from PubChem (CID 11379213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).