4-ethyl-1,3-dihydroimidazo[4,5-d]pyridazin-2-one

C7H8N4O — CID 167283835

IUPAC4-ethyl-1,3-dihydroimidazo[4,5-d]pyridazin-2-one
SMILESCCc1nncc2[nH]c(=O)[nH]c12
InChIInChI=1S/C7H8N4O/c1-2-4-6-5(3-8-11-4)9-7(12)10-6/h3H,2H2,1H3,(H2,9,10,12)
InChIKeyPOLCPSNBYNHQCQ-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.21
Rot. Bonds1

About 4-ethyl-1,3-dihydroimidazo[4,5-d]pyridazin-2-one

4-ethyl-1,3-dihydroimidazo[4,5-d]pyridazin-2-one (PubChem CID 167283835) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 4-ethyl-1,3-dihydroimidazo[4,5-d]pyridazin-2-one.

Molecular Properties

Compound Name4-ethyl-1,3-dihydroimidazo[4,5-d]pyridazin-2-one
PubChem CID167283835
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name4-ethyl-1,3-dihydroimidazo[4,5-d]pyridazin-2-one
SMILESCCc1nncc2[nH]c(=O)[nH]c12
InChIInChI=1S/C7H8N4O/c1-2-4-6-5(3-8-11-4)9-7(12)10-6/h3H,2H2,1H3,(H2,9,10,12)
InChIKeyPOLCPSNBYNHQCQ-UHFFFAOYSA-N
XLogP0.21
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3-dihydroimidazo[4,5-d]pyridazin-2-one?
The IUPAC name of 4-ethyl-1,3-dihydroimidazo[4,5-d]pyridazin-2-one (CID 167283835) is 4-ethyl-1,3-dihydroimidazo[4,5-d]pyridazin-2-one.
What is the SMILES notation for 4-ethyl-1,3-dihydroimidazo[4,5-d]pyridazin-2-one?
The canonical SMILES for 4-ethyl-1,3-dihydroimidazo[4,5-d]pyridazin-2-one is CCc1nncc2[nH]c(=O)[nH]c12.
What is the InChIKey of 4-ethyl-1,3-dihydroimidazo[4,5-d]pyridazin-2-one?
The InChIKey is POLCPSNBYNHQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-2-4-6-5(3-8-11-4)9-7(12)10-6/h3H,2H2,1H3,(H2,9,10,12).
What are the key properties of 4-ethyl-1,3-dihydroimidazo[4,5-d]pyridazin-2-one?
4-ethyl-1,3-dihydroimidazo[4,5-d]pyridazin-2-one has a molecular weight of 164.17 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3-dihydroimidazo[4,5-d]pyridazin-2-one is sourced from PubChem (CID 167283835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).