N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]propanamide

C13H19N3O2 — CID 59751938

IUPACN-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C13H19N3O2/c1-2-12(17)14-8-7-11-9-5-3-4-6-10(9)13(18)16-15-11/h2-8H2,1H3,(H,14,17)(H,16,18)
InChIKeyOZDMQNBMGFGEBQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.72
Rot. Bonds4

About N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]propanamide

N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]propanamide (PubChem CID 59751938) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]propanamide
PubChem CID59751938
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C13H19N3O2/c1-2-12(17)14-8-7-11-9-5-3-4-6-10(9)13(18)16-15-11/h2-8H2,1H3,(H,14,17)(H,16,18)
InChIKeyOZDMQNBMGFGEBQ-UHFFFAOYSA-N
XLogP0.72
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.72
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
N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 34742195
4-(ethylaminomethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751873
N,N-diethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide
CID 59751877
N-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]propanamide
CID 59751882
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
N-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]propanamide
CID 59751909
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
4-[[ethyl(methyl)amino]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751918

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]propanamide?
The IUPAC name of N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]propanamide (CID 59751938) is N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]propanamide is CCC(=O)NCCc1n[nH]c(=O)c2c1CCCC2.
What is the InChIKey of N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]propanamide?
The InChIKey is OZDMQNBMGFGEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-12(17)14-8-7-11-9-5-3-4-6-10(9)13(18)16-15-11/h2-8H2,1H3,(H,14,17)(H,16,18).
What are the key properties of N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]propanamide?
N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]propanamide has a molecular weight of 249.31 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]propanamide is sourced from PubChem (CID 59751938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).