7-ethyl-8-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one

C8H10N4O — CID 658404

IUPAC7-ethyl-8-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one
SMILESCCc1c(C)c2nncn2[nH]c1=O
InChIInChI=1S/C8H10N4O/c1-3-6-5(2)7-10-9-4-12(7)11-8(6)13/h4H,3H2,1-2H3,(H,11,13)
InChIKeyRCHYKGVWNCSGEM-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.29
Rot. Bonds1

About 7-ethyl-8-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one

7-ethyl-8-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one (PubChem CID 658404) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 7-ethyl-8-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one.

Molecular Properties

Compound Name7-ethyl-8-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one
PubChem CID658404
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name7-ethyl-8-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one
SMILESCCc1c(C)c2nncn2[nH]c1=O
InChIInChI=1S/C8H10N4O/c1-3-6-5(2)7-10-9-4-12(7)11-8(6)13/h4H,3H2,1-2H3,(H,11,13)
InChIKeyRCHYKGVWNCSGEM-UHFFFAOYSA-N
XLogP0.29
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one?
The IUPAC name of 7-ethyl-8-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one (CID 658404) is 7-ethyl-8-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one.
What is the SMILES notation for 7-ethyl-8-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one?
The canonical SMILES for 7-ethyl-8-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one is CCc1c(C)c2nncn2[nH]c1=O.
What is the InChIKey of 7-ethyl-8-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one?
The InChIKey is RCHYKGVWNCSGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-3-6-5(2)7-10-9-4-12(7)11-8(6)13/h4H,3H2,1-2H3,(H,11,13).
What are the key properties of 7-ethyl-8-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one?
7-ethyl-8-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one has a molecular weight of 178.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one is sourced from PubChem (CID 658404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).