6-phenyl-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione

C10H8N4O2 — CID 155557688

IUPAC6-phenyl-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione
SMILESO=c1[nH][nH]c2cn(-c3ccccc3)c(=O)n12
InChIInChI=1S/C10H8N4O2/c15-9-12-11-8-6-13(10(16)14(8)9)7-4-2-1-3-5-7/h1-6,11H,(H,12,15)
InChIKeyIBASAFCCDWWDHV-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.11
Rot. Bonds1

About 6-phenyl-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione

6-phenyl-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione (PubChem CID 155557688) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 6-phenyl-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione.

Molecular Properties

Compound Name6-phenyl-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione
PubChem CID155557688
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name6-phenyl-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione
SMILESO=c1[nH][nH]c2cn(-c3ccccc3)c(=O)n12
InChIInChI=1S/C10H8N4O2/c15-9-12-11-8-6-13(10(16)14(8)9)7-4-2-1-3-5-7/h1-6,11H,(H,12,15)
InChIKeyIBASAFCCDWWDHV-UHFFFAOYSA-N
XLogP0.11
TPSA75.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Phenylurazole
CID 85229
1,2,4-Triazolidine-3,5-dione, 1-phenyl-
CID 95671
1,2-Dimethyl-4-Phenyl-1,2,4-triazolidine-3,5-dione
CID 6539163
2-phenyldihydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione
CID 714678
1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione
CID 152126
Bicarbamimide, N,2-diphenyl-
CID 169646
1-Butyl-2-phenyl-1,2,4-triazolidine-3,5-dione
CID 215061
Bicarbamimide, N-ethyl-2-phenyl-3-propyl-
CID 215078
Bicarbamimide, 2-(1-ethylpropyl)-3-phenyl-
CID 215082
Bicarbamimide, 2-allyl-3-phenyl-
CID 215083
Bicarbamimide, 2-hexyl-3-phenyl-
CID 3063574
3-Oxo-2-phenyl-1,2,4,8-tetraazaspiro[4.5]decane-8-carboxamide
CID 3818978

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione?
The IUPAC name of 6-phenyl-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione (CID 155557688) is 6-phenyl-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione.
What is the SMILES notation for 6-phenyl-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione?
The canonical SMILES for 6-phenyl-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione is O=c1[nH][nH]c2cn(-c3ccccc3)c(=O)n12.
What is the InChIKey of 6-phenyl-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione?
The InChIKey is IBASAFCCDWWDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c15-9-12-11-8-6-13(10(16)14(8)9)7-4-2-1-3-5-7/h1-6,11H,(H,12,15).
What are the key properties of 6-phenyl-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione?
6-phenyl-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione has a molecular weight of 216.20 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione is sourced from PubChem (CID 155557688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).