4,8-diethyl-2-methyl-6,7-dihydrophthalazin-1-one

C13H18N2O — CID 167252041

IUPAC4,8-diethyl-2-methyl-6,7-dihydrophthalazin-1-one
SMILESCCC1=c2c(c(CC)nn(C)c2=O)=CCC1
InChIInChI=1S/C13H18N2O/c1-4-9-7-6-8-10-11(5-2)14-15(3)13(16)12(9)10/h8H,4-7H2,1-3H3
InChIKeyNGTMEMOUDYKQQT-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.48
Rot. Bonds2

About 4,8-diethyl-2-methyl-6,7-dihydrophthalazin-1-one

4,8-diethyl-2-methyl-6,7-dihydrophthalazin-1-one (PubChem CID 167252041) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4,8-diethyl-2-methyl-6,7-dihydrophthalazin-1-one.

Molecular Properties

Compound Name4,8-diethyl-2-methyl-6,7-dihydrophthalazin-1-one
PubChem CID167252041
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4,8-diethyl-2-methyl-6,7-dihydrophthalazin-1-one
SMILESCCC1=c2c(c(CC)nn(C)c2=O)=CCC1
InChIInChI=1S/C13H18N2O/c1-4-9-7-6-8-10-11(5-2)14-15(3)13(16)12(9)10/h8H,4-7H2,1-3H3
InChIKeyNGTMEMOUDYKQQT-UHFFFAOYSA-N
XLogP0.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,8-diethyl-2-methyl-6,7-dihydrophthalazin-1-one?
The IUPAC name of 4,8-diethyl-2-methyl-6,7-dihydrophthalazin-1-one (CID 167252041) is 4,8-diethyl-2-methyl-6,7-dihydrophthalazin-1-one.
What is the SMILES notation for 4,8-diethyl-2-methyl-6,7-dihydrophthalazin-1-one?
The canonical SMILES for 4,8-diethyl-2-methyl-6,7-dihydrophthalazin-1-one is CCC1=c2c(c(CC)nn(C)c2=O)=CCC1.
What is the InChIKey of 4,8-diethyl-2-methyl-6,7-dihydrophthalazin-1-one?
The InChIKey is NGTMEMOUDYKQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-9-7-6-8-10-11(5-2)14-15(3)13(16)12(9)10/h8H,4-7H2,1-3H3.
What are the key properties of 4,8-diethyl-2-methyl-6,7-dihydrophthalazin-1-one?
4,8-diethyl-2-methyl-6,7-dihydrophthalazin-1-one has a molecular weight of 218.30 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-diethyl-2-methyl-6,7-dihydrophthalazin-1-one is sourced from PubChem (CID 167252041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).