4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one

C15H26N4O — CID 66966076

IUPAC4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESCN(C)CCN(C)CCc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C15H26N4O/c1-18(2)10-11-19(3)9-8-14-12-6-4-5-7-13(12)15(20)17-16-14/h4-11H2,1-3H3,(H,17,20)
InChIKeyYDGSQTDDPHXMGD-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.68
Rot. Bonds6

About 4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one

4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one (PubChem CID 66966076) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
PubChem CID66966076
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESCN(C)CCN(C)CCc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C15H26N4O/c1-18(2)10-11-19(3)9-8-14-12-6-4-5-7-13(12)15(20)17-16-14/h4-11H2,1-3H3,(H,17,20)
InChIKeyYDGSQTDDPHXMGD-UHFFFAOYSA-N
XLogP0.68
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The IUPAC name of 4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one (CID 66966076) is 4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one.
What is the SMILES notation for 4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The canonical SMILES for 4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one is CN(C)CCN(C)CCc1n[nH]c(=O)c2c1CCCC2.
What is the InChIKey of 4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The InChIKey is YDGSQTDDPHXMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-18(2)10-11-19(3)9-8-14-12-6-4-5-7-13(12)15(20)17-16-14/h4-11H2,1-3H3,(H,17,20).
What are the key properties of 4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one has a molecular weight of 278.40 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one is sourced from PubChem (CID 66966076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).