3-(4-ethoxyphenyl)-6-methyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one

C13H13N5O2 — CID 136941002

IUPAC3-(4-ethoxyphenyl)-6-methyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
SMILESCCOc1ccc(-c2nnc3[nH]c(=O)c(C)nn23)cc1
InChIInChI=1S/C13H13N5O2/c1-3-20-10-6-4-9(5-7-10)11-15-16-13-14-12(19)8(2)17-18(11)13/h4-7H,3H2,1-2H3,(H,14,16,19)
InChIKeyUAUIAQSBFJJXRR-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.19
Rot. Bonds3

About 3-(4-ethoxyphenyl)-6-methyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one

3-(4-ethoxyphenyl)-6-methyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one (PubChem CID 136941002) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-6-methyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-6-methyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
PubChem CID136941002
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name3-(4-ethoxyphenyl)-6-methyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
SMILESCCOc1ccc(-c2nnc3[nH]c(=O)c(C)nn23)cc1
InChIInChI=1S/C13H13N5O2/c1-3-20-10-6-4-9(5-7-10)11-15-16-13-14-12(19)8(2)17-18(11)13/h4-7H,3H2,1-2H3,(H,14,16,19)
InChIKeyUAUIAQSBFJJXRR-UHFFFAOYSA-N
XLogP1.19
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 1142987
ethyl (2S)-2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propanoate
CID 7118276
3-(4-ethoxyphenyl)-4-propyl-1,2,4-triazole
CID 113301287
4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691863
4-(4-ethoxyphenyl)-5-methyl-2H-triazole
CID 170147551
2-(4-ethoxyphenyl)-1H-pyrimidin-6-one
CID 43654617
2-[4-(4-ethoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid
CID 82488999
5-(4-ethoxyphenyl)-2-methyl-1H-imidazole
CID 116883826
6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
CID 7660164
4-[3-(4-ethoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylaniline
CID 2747854
4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole
CID 7813991
2-(4-ethoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66311923

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-6-methyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one?
The IUPAC name of 3-(4-ethoxyphenyl)-6-methyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one (CID 136941002) is 3-(4-ethoxyphenyl)-6-methyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)-6-methyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one?
The canonical SMILES for 3-(4-ethoxyphenyl)-6-methyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one is CCOc1ccc(-c2nnc3[nH]c(=O)c(C)nn23)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-6-methyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one?
The InChIKey is UAUIAQSBFJJXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-3-20-10-6-4-9(5-7-10)11-15-16-13-14-12(19)8(2)17-18(11)13/h4-7H,3H2,1-2H3,(H,14,16,19).
What are the key properties of 3-(4-ethoxyphenyl)-6-methyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one?
3-(4-ethoxyphenyl)-6-methyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one has a molecular weight of 271.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-6-methyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one is sourced from PubChem (CID 136941002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).