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

C14H16N4O2 — CID 45495171

IUPAC6-(4-methylphenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCc1ccc(N2Cc3nc(=O)n(C(C)C)n3C2=O)cc1
InChIInChI=1S/C14H16N4O2/c1-9(2)17-13(19)15-12-8-16(14(20)18(12)17)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
InChIKeyKDLWBFWTKFKMAD-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.92
Rot. Bonds2

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

6-(4-methylphenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 45495171) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 6-(4-methylphenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-(4-methylphenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID45495171
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name6-(4-methylphenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCc1ccc(N2Cc3nc(=O)n(C(C)C)n3C2=O)cc1
InChIInChI=1S/C14H16N4O2/c1-9(2)17-13(19)15-12-8-16(14(20)18(12)17)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
InChIKeyKDLWBFWTKFKMAD-UHFFFAOYSA-N
XLogP1.92
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-(4-methylphenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 45495171) is 6-(4-methylphenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-(4-methylphenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-(4-methylphenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is Cc1ccc(N2Cc3nc(=O)n(C(C)C)n3C2=O)cc1.
What is the InChIKey of 6-(4-methylphenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is KDLWBFWTKFKMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9(2)17-13(19)15-12-8-16(14(20)18(12)17)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3.
What are the key properties of 6-(4-methylphenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-(4-methylphenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 272.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 45495171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).