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

C13H13ClN4O2 — CID 155550120

IUPAC6-(4-chlorophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCC(C)n1c(=O)[nH]c2cn(-c3ccc(Cl)cc3)c(=O)n21
InChIInChI=1S/C13H13ClN4O2/c1-8(2)17-12(19)15-11-7-16(13(20)18(11)17)10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H,15,19)
InChIKeyDKKUUVHGSUTUFI-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.81
Rot. Bonds2

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

6-(4-chlorophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 155550120) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID155550120
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name6-(4-chlorophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCC(C)n1c(=O)[nH]c2cn(-c3ccc(Cl)cc3)c(=O)n21
InChIInChI=1S/C13H13ClN4O2/c1-8(2)17-12(19)15-11-7-16(13(20)18(11)17)10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H,15,19)
InChIKeyDKKUUVHGSUTUFI-UHFFFAOYSA-N
XLogP1.81
TPSA64.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-chlorophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione with MolForge

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Related Compounds

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CID 8800
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ST50544519
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Urea, N-(4-chlorophenyl)-N'-(1-methylethyl)-
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CID 91575
1-Aziridinecarboxamide, N-(p-chlorophenyl)-2-methyl-
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1-Butyl-3-(4-chlorophenyl)-1-methylurea
CID 3539119
4-(3-Chlorophenyl)-1,2-dimethyl-1,2,4-triazolidine-3,5-dione
CID 1247929
US10343992, Example 257
CID 146676363
2-Imidazolidinone, 1-(4-chlorophenyl)-3-(2-(dimethylamino)-1-methylethyl)-4-methyl-
CID 3038492

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-(4-chlorophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 155550120) is 6-(4-chlorophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-(4-chlorophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-(4-chlorophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is CC(C)n1c(=O)[nH]c2cn(-c3ccc(Cl)cc3)c(=O)n21.
What is the InChIKey of 6-(4-chlorophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is DKKUUVHGSUTUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-8(2)17-12(19)15-11-7-16(13(20)18(11)17)10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H,15,19).
What are the key properties of 6-(4-chlorophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-(4-chlorophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 292.73 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 155550120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).