6-tert-butyl-3-(2-methoxyphenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one

C15H17N5O2 — CID 135888190

IUPAC6-tert-butyl-3-(2-methoxyphenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
SMILESCOc1ccccc1-c1nnc2[nH]c(=O)c(C(C)(C)C)nn12
InChIInChI=1S/C15H17N5O2/c1-15(2,3)11-13(21)16-14-18-17-12(20(14)19-11)9-7-5-6-8-10(9)22-4/h5-8H,1-4H3,(H,16,18,21)
InChIKeyAEUNRDOVQNCWFO-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.79
Rot. Bonds2

About 6-tert-butyl-3-(2-methoxyphenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one

6-tert-butyl-3-(2-methoxyphenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one (PubChem CID 135888190) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 6-tert-butyl-3-(2-methoxyphenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one.

Molecular Properties

Compound Name6-tert-butyl-3-(2-methoxyphenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
PubChem CID135888190
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name6-tert-butyl-3-(2-methoxyphenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
SMILESCOc1ccccc1-c1nnc2[nH]c(=O)c(C(C)(C)C)nn12
InChIInChI=1S/C15H17N5O2/c1-15(2,3)11-13(21)16-14-18-17-12(20(14)19-11)9-7-5-6-8-10(9)22-4/h5-8H,1-4H3,(H,16,18,21)
InChIKeyAEUNRDOVQNCWFO-UHFFFAOYSA-N
XLogP1.79
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-tert-butyl-3-(2-methoxyphenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one with MolForge

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Related Compounds

6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 43327050
3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxylic acid
CID 94771493
6-tert-butyl-3-(2-methoxyphenyl)-1H-imidazo[2,1-c][1,2,4]triazole
CID 146482460
4-[5-[[6-tert-butyl-3-(2-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]methyl]thiophen-2-yl]morpholine
CID 123775502
6-[2-(furan-2-yl)ethenyl]-3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71966696
3-(2-methoxyphenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 932926
3-(2-methoxyphenyl)-6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 938376
6-but-2-en-2-yl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 123179709
3-(2-methoxyphenyl)-1,2,4-triazol-4-amine
CID 54284537
3-(2-methoxyphenyl)-6-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 663268
6-benzyl-3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 1234092
5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
CID 113366285

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(2-methoxyphenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one?
The IUPAC name of 6-tert-butyl-3-(2-methoxyphenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one (CID 135888190) is 6-tert-butyl-3-(2-methoxyphenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one.
What is the SMILES notation for 6-tert-butyl-3-(2-methoxyphenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one?
The canonical SMILES for 6-tert-butyl-3-(2-methoxyphenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one is COc1ccccc1-c1nnc2[nH]c(=O)c(C(C)(C)C)nn12.
What is the InChIKey of 6-tert-butyl-3-(2-methoxyphenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one?
The InChIKey is AEUNRDOVQNCWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-15(2,3)11-13(21)16-14-18-17-12(20(14)19-11)9-7-5-6-8-10(9)22-4/h5-8H,1-4H3,(H,16,18,21).
What are the key properties of 6-tert-butyl-3-(2-methoxyphenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one?
6-tert-butyl-3-(2-methoxyphenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one has a molecular weight of 299.33 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(2-methoxyphenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one is sourced from PubChem (CID 135888190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).