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

C8H9N3O — CID 141180271

IUPAC1-ethyl-5H-pyrrolo[2,3-d]pyridazin-4-one
SMILESCCn1ccc2c(=O)[nH]ncc21
InChIInChI=1S/C8H9N3O/c1-2-11-4-3-6-7(11)5-9-10-8(6)12/h3-5H,2H2,1H3,(H,10,12)
InChIKeyKSRXJHFEZFAZRZ-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.74
Rot. Bonds1

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

1-ethyl-5H-pyrrolo[2,3-d]pyridazin-4-one (PubChem CID 141180271) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-ethyl-5H-pyrrolo[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name1-ethyl-5H-pyrrolo[2,3-d]pyridazin-4-one
PubChem CID141180271
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name1-ethyl-5H-pyrrolo[2,3-d]pyridazin-4-one
SMILESCCn1ccc2c(=O)[nH]ncc21
InChIInChI=1S/C8H9N3O/c1-2-11-4-3-6-7(11)5-9-10-8(6)12/h3-5H,2H2,1H3,(H,10,12)
InChIKeyKSRXJHFEZFAZRZ-UHFFFAOYSA-N
XLogP0.74
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5H-pyrrolo[2,3-d]pyridazin-4-one?
The IUPAC name of 1-ethyl-5H-pyrrolo[2,3-d]pyridazin-4-one (CID 141180271) is 1-ethyl-5H-pyrrolo[2,3-d]pyridazin-4-one.
What is the SMILES notation for 1-ethyl-5H-pyrrolo[2,3-d]pyridazin-4-one?
The canonical SMILES for 1-ethyl-5H-pyrrolo[2,3-d]pyridazin-4-one is CCn1ccc2c(=O)[nH]ncc21.
What is the InChIKey of 1-ethyl-5H-pyrrolo[2,3-d]pyridazin-4-one?
The InChIKey is KSRXJHFEZFAZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-2-11-4-3-6-7(11)5-9-10-8(6)12/h3-5H,2H2,1H3,(H,10,12).
What are the key properties of 1-ethyl-5H-pyrrolo[2,3-d]pyridazin-4-one?
1-ethyl-5H-pyrrolo[2,3-d]pyridazin-4-one has a molecular weight of 163.18 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5H-pyrrolo[2,3-d]pyridazin-4-one is sourced from PubChem (CID 141180271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).