3-ethyl-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one

C10H14N2O — CID 163764084

IUPAC3-ethyl-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
SMILESCCn1nc(C)c2c(c1=O)CCC2
InChIInChI=1S/C10H14N2O/c1-3-12-10(13)9-6-4-5-8(9)7(2)11-12/h3-6H2,1-2H3
InChIKeyMASPSVWMVBRXAC-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.06
Rot. Bonds1

About 3-ethyl-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one

3-ethyl-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one (PubChem CID 163764084) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-ethyl-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one.

Molecular Properties

Compound Name3-ethyl-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
PubChem CID163764084
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3-ethyl-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
SMILESCCn1nc(C)c2c(c1=O)CCC2
InChIInChI=1S/C10H14N2O/c1-3-12-10(13)9-6-4-5-8(9)7(2)11-12/h3-6H2,1-2H3
InChIKeyMASPSVWMVBRXAC-UHFFFAOYSA-N
XLogP1.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
CID 59751915
N,N-diethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
CID 59751959
3-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
CID 91164950
2-Cyclohexyl-5-methyl-4-pentan-3-ylidenepyrazol-3-one
CID 140484043
2-Propan-2-yl-5,6,7,8-tetrahydrophthalazin-1-one
CID 146189239
1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyridazin-4-one
CID 163801589
2,4-Dimethyl-5,6,7,8-tetrahydrophthalazin-1-one
CID 163998723

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one?
The IUPAC name of 3-ethyl-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one (CID 163764084) is 3-ethyl-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one.
What is the SMILES notation for 3-ethyl-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one?
The canonical SMILES for 3-ethyl-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one is CCn1nc(C)c2c(c1=O)CCC2.
What is the InChIKey of 3-ethyl-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one?
The InChIKey is MASPSVWMVBRXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-12-10(13)9-6-4-5-8(9)7(2)11-12/h3-6H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one?
3-ethyl-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one has a molecular weight of 178.23 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one is sourced from PubChem (CID 163764084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).