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

C18H16N4O2 — CID 39309324

IUPAC3-[(2-methylphenyl)methyl]-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCc1ccccc1Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2
InChIInChI=1S/C18H16N4O2/c1-13-7-5-6-8-14(13)11-21-17(23)19-16-12-20(18(24)22(16)21)15-9-3-2-4-10-15/h2-10H,11-12H2,1H3
InChIKeyHCSKZFYRNBXPAP-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.39
Rot. Bonds3

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

3-[(2-methylphenyl)methyl]-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 39309324) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methyl]-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name3-[(2-methylphenyl)methyl]-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID39309324
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-[(2-methylphenyl)methyl]-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCc1ccccc1Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2
InChIInChI=1S/C18H16N4O2/c1-13-7-5-6-8-14(13)11-21-17(23)19-16-12-20(18(24)22(16)21)15-9-3-2-4-10-15/h2-10H,11-12H2,1H3
InChIKeyHCSKZFYRNBXPAP-UHFFFAOYSA-N
XLogP2.39
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylbut-2-enyl)-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 51048480
6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 16767049
6-(4-methoxyphenyl)-3-(3-phenylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 51049294
N-[(3,5-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide
CID 51049188
N-(4-cyanophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide
CID 45493077
6-(3-methoxyphenyl)-3-(3-methylbutyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 52897925
6-(4-fluorophenyl)-3-prop-2-ynyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 39349966
4-methyl-2-[(2-methylphenyl)methyl]-6-phenyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione
CID 78331358
(4S)-1-(4-methylphenyl)-4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 7011305
(3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978837
2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 51052499
(3R)-1-(3,4-dichlorophenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 93321351

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methyl]-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 3-[(2-methylphenyl)methyl]-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 39309324) is 3-[(2-methylphenyl)methyl]-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 3-[(2-methylphenyl)methyl]-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 3-[(2-methylphenyl)methyl]-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is Cc1ccccc1Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2.
What is the InChIKey of 3-[(2-methylphenyl)methyl]-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is HCSKZFYRNBXPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-13-7-5-6-8-14(13)11-21-17(23)19-16-12-20(18(24)22(16)21)15-9-3-2-4-10-15/h2-10H,11-12H2,1H3.
What are the key properties of 3-[(2-methylphenyl)methyl]-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
3-[(2-methylphenyl)methyl]-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 320.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methyl]-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 39309324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).