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

C11H10N4O2 — CID 16767042

IUPAC3-methyl-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCn1c(=O)nc2n1C(=O)N(c1ccccc1)C2
InChIInChI=1S/C11H10N4O2/c1-13-10(16)12-9-7-14(11(17)15(9)13)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyJIUUCTUFIPNOPG-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.57
Rot. Bonds1

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

3-methyl-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 16767042) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 3-methyl-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name3-methyl-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID16767042
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name3-methyl-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCn1c(=O)nc2n1C(=O)N(c1ccccc1)C2
InChIInChI=1S/C11H10N4O2/c1-13-10(16)12-9-7-14(11(17)15(9)13)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyJIUUCTUFIPNOPG-UHFFFAOYSA-N
XLogP0.57
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 3-methyl-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 16767042) is 3-methyl-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 3-methyl-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 3-methyl-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2.
What is the InChIKey of 3-methyl-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is JIUUCTUFIPNOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-13-10(16)12-9-7-14(11(17)15(9)13)8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of 3-methyl-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
3-methyl-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 230.23 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 16767042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).