3-(3-methylbut-2-enyl)-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

C15H16N4O2 — CID 51048480

IUPAC3-(3-methylbut-2-enyl)-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCC(C)=CCn1c(=O)nc2n1C(=O)N(c1ccccc1)C2
InChIInChI=1S/C15H16N4O2/c1-11(2)8-9-18-14(20)16-13-10-17(15(21)19(13)18)12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3
InChIKeyPBECSSPMBDZVHW-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.00
Rot. Bonds3

About 3-(3-methylbut-2-enyl)-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

3-(3-methylbut-2-enyl)-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 51048480) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-(3-methylbut-2-enyl)-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name3-(3-methylbut-2-enyl)-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID51048480
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-(3-methylbut-2-enyl)-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCC(C)=CCn1c(=O)nc2n1C(=O)N(c1ccccc1)C2
InChIInChI=1S/C15H16N4O2/c1-11(2)8-9-18-14(20)16-13-10-17(15(21)19(13)18)12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3
InChIKeyPBECSSPMBDZVHW-UHFFFAOYSA-N
XLogP2.00
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-2-enyl)-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 3-(3-methylbut-2-enyl)-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 51048480) is 3-(3-methylbut-2-enyl)-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 3-(3-methylbut-2-enyl)-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 3-(3-methylbut-2-enyl)-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is CC(C)=CCn1c(=O)nc2n1C(=O)N(c1ccccc1)C2.
What is the InChIKey of 3-(3-methylbut-2-enyl)-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is PBECSSPMBDZVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-11(2)8-9-18-14(20)16-13-10-17(15(21)19(13)18)12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3.
What are the key properties of 3-(3-methylbut-2-enyl)-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
3-(3-methylbut-2-enyl)-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 284.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-2-enyl)-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 51048480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).