4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one

C10H14N2O — CID 59751925

IUPAC4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESCCc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C10H14N2O/c1-2-9-7-5-3-4-6-8(7)10(13)12-11-9/h2-6H2,1H3,(H,12,13)
InChIKeyCJERIUFLURATFA-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.21
Rot. Bonds1

About 4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one

4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one (PubChem CID 59751925) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
PubChem CID59751925
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESCCc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C10H14N2O/c1-2-9-7-5-3-4-6-8(7)10(13)12-11-9/h2-6H2,1H3,(H,12,13)
InChIKeyCJERIUFLURATFA-UHFFFAOYSA-N
XLogP1.21
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,5,6,7,8-Hexahydrophthalazin-1-one
CID 66875468
7,7-Difluoro-4-methyl-2,5,6,8-tetrahydrophthalazin-1-one
CID 155363396
7,7-Difluoro-4,6-dimethyl-2,5,6,8-tetrahydrophthalazin-1-one
CID 155364212
4-methyl-5,6,7,8-tetrahydro-2H-cinnolin-3-one
CID 13512716
4-Chloro-5,6,7,8-tetrahydrophthalazin-1-ol
CID 23032566
4-(ethylaminomethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751873
4-pentyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751878
4-butyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751905
N-ethyl-N-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
CID 59751915
4-[2-(ethylamino)ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751916
4-[[ethyl(methyl)amino]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751918
4-[3-(ethylamino)propyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751924

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The IUPAC name of 4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one (CID 59751925) is 4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one.
What is the SMILES notation for 4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The canonical SMILES for 4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one is CCc1n[nH]c(=O)c2c1CCCC2.
What is the InChIKey of 4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The InChIKey is CJERIUFLURATFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-9-7-5-3-4-6-8(7)10(13)12-11-9/h2-6H2,1H3,(H,12,13).
What are the key properties of 4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one has a molecular weight of 178.23 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one is sourced from PubChem (CID 59751925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).