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

C14H16N4O3 — CID 155565031

IUPAC6-(3-methoxyphenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCOc1cccc(-n2cc3[nH]c(=O)n(C(C)C)n3c2=O)c1
InChIInChI=1S/C14H16N4O3/c1-9(2)17-13(19)15-12-8-16(14(20)18(12)17)10-5-4-6-11(7-10)21-3/h4-9H,1-3H3,(H,15,19)
InChIKeyGJCLNWSESKRJGT-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.17
Rot. Bonds3

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

6-(3-methoxyphenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 155565031) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID155565031
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name6-(3-methoxyphenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCOc1cccc(-n2cc3[nH]c(=O)n(C(C)C)n3c2=O)c1
InChIInChI=1S/C14H16N4O3/c1-9(2)17-13(19)15-12-8-16(14(20)18(12)17)10-5-4-6-11(7-10)21-3/h4-9H,1-3H3,(H,15,19)
InChIKeyGJCLNWSESKRJGT-UHFFFAOYSA-N
XLogP1.17
TPSA73.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-(3-methoxyphenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 155565031) is 6-(3-methoxyphenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-(3-methoxyphenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-(3-methoxyphenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is COc1cccc(-n2cc3[nH]c(=O)n(C(C)C)n3c2=O)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is GJCLNWSESKRJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9(2)17-13(19)15-12-8-16(14(20)18(12)17)10-5-4-6-11(7-10)21-3/h4-9H,1-3H3,(H,15,19).
What are the key properties of 6-(3-methoxyphenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-(3-methoxyphenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 288.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 155565031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).