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

C15H24N4O — CID 66965939

IUPAC4-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESCN1CCN(CCc2n[nH]c(=O)c3c2CCCC3)CC1
InChIInChI=1S/C15H24N4O/c1-18-8-10-19(11-9-18)7-6-14-12-4-2-3-5-13(12)15(20)17-16-14/h2-11H2,1H3,(H,17,20)
InChIKeyZREPPRDUAKBXHG-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.44
Rot. Bonds3

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

4-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one (PubChem CID 66965939) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
PubChem CID66965939
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESCN1CCN(CCc2n[nH]c(=O)c3c2CCCC3)CC1
InChIInChI=1S/C15H24N4O/c1-18-8-10-19(11-9-18)7-6-14-12-4-2-3-5-13(12)15(20)17-16-14/h2-11H2,1H3,(H,17,20)
InChIKeyZREPPRDUAKBXHG-UHFFFAOYSA-N
XLogP0.44
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 66966455
4-[3-(azetidin-1-yl)propyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 10214596
ethane;4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 158466722
4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 66966076
4-[2-(3-aminophenyl)ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 69048182
1-methyl-5,6,7,8,9,10-hexahydro-3H-cycloocta[d]pyridazin-4-one
CID 118458959
4-[2-(3-bromo-4-fluorophenyl)ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 69044975
8-(pyrrolidin-1-ylmethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 10125215
N-[2-(dimethylamino)propyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
CID 66965949
4-[[4-fluoro-3-(2-oxopiperidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 25007230
benzyl 4-[2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)ethyl]-1,4-diazepane-1-carboxylate;methanesulfonic acid
CID 87217755
8-pentyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 59751914

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The IUPAC name of 4-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one (CID 66965939) is 4-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one.
What is the SMILES notation for 4-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The canonical SMILES for 4-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one is CN1CCN(CCc2n[nH]c(=O)c3c2CCCC3)CC1.
What is the InChIKey of 4-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The InChIKey is ZREPPRDUAKBXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18-8-10-19(11-9-18)7-6-14-12-4-2-3-5-13(12)15(20)17-16-14/h2-11H2,1H3,(H,17,20).
What are the key properties of 4-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
4-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one has a molecular weight of 276.38 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one is sourced from PubChem (CID 66965939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).