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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Related Compounds

ethyl 2-(4-oxo-5H-pyrrolo[2,3-d]pyridazin-1-yl)acetate
CID 165392980
1-(phenylmethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one
CID 66602762
3-[2-(4-oxo-5H-pyrrolo[2,3-d]pyridazin-1-yl)ethoxy]propanoic acid
CID 165392617
1-ethyl-6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-c]pyridin-4-one
CID 72549196
1-tert-butyl-5H-pyrazolo[4,5-d]pyridazin-4-one
CID 155762496
3-(dimethylamino)-7-ethyl-2H-pyrrolo[3,2-f]quinazolin-1-one
CID 137249871
ethane;2-ethyl-6H-pyrido[2,3-d]pyridazin-5-one
CID 145188289
1-[[2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-3-hydroxyphenyl]methyl]-5H-pyrrolo[2,3-d]pyridazin-4-one
CID 66602337
1-ethyl-4,6-dimethylindole
CID 118407006
5-methyl-3H-pyridazino[4,5-b]indol-4-one
CID 3056946
11-methyl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione
CID 68866238
5-ethylthieno[3,2-c]pyridin-4-one
CID 115886528

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).