4-(ethylaminomethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one

C11H17N3O — CID 59751873

IUPAC4-(ethylaminomethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESCCNCc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C11H17N3O/c1-2-12-7-10-8-5-3-4-6-9(8)11(15)14-13-10/h12H,2-7H2,1H3,(H,14,15)
InChIKeyLDHGXMCUWDLXGV-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.76
Rot. Bonds3

About 4-(ethylaminomethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one

4-(ethylaminomethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one (PubChem CID 59751873) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(ethylaminomethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one
PubChem CID59751873
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(ethylaminomethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESCCNCc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C11H17N3O/c1-2-12-7-10-8-5-3-4-6-9(8)11(15)14-13-10/h12H,2-7H2,1H3,(H,14,15)
InChIKeyLDHGXMCUWDLXGV-UHFFFAOYSA-N
XLogP0.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Piperazin-2-ylmethyl)-5,6,7,8-tetrahydrophthalazin-1(2h)-one
CID 69043912
4-methyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one
CID 23464669
8-[2-(ethylamino)ethyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 59751875
4-pentyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751878
N-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]propanamide
CID 59751882
8-(ethylaminomethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 59751889
N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
CID 59751900
8-butyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 59751901
4-butyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751905
8-pentyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 59751914
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

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The IUPAC name of 4-(ethylaminomethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one (CID 59751873) is 4-(ethylaminomethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one.
What is the SMILES notation for 4-(ethylaminomethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The canonical SMILES for 4-(ethylaminomethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one is CCNCc1n[nH]c(=O)c2c1CCCC2.
What is the InChIKey of 4-(ethylaminomethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The InChIKey is LDHGXMCUWDLXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-12-7-10-8-5-3-4-6-9(8)11(15)14-13-10/h12H,2-7H2,1H3,(H,14,15).
What are the key properties of 4-(ethylaminomethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
4-(ethylaminomethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one has a molecular weight of 207.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one is sourced from PubChem (CID 59751873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).