N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide;hydrochloride

C13H21ClN4O2 — CID 66966582

IUPACN-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide;hydrochloride
SMILESCl.NCCNC(=O)CCc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C13H20N4O2.ClH/c14-7-8-15-12(18)6-5-11-9-3-1-2-4-10(9)13(19)17-16-11;/h1-8,14H2,(H,15,18)(H,17,19);1H
InChIKeyMUIWCZHYCJUHJN-UHFFFAOYSA-N
MW300.79 g/mol
LogP0.08
Rot. Bonds5

About N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide;hydrochloride

N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide;hydrochloride (PubChem CID 66966582) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide;hydrochloride
PubChem CID66966582
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC NameN-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide;hydrochloride
SMILESCl.NCCNC(=O)CCc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C13H20N4O2.ClH/c14-7-8-15-12(18)6-5-11-9-3-1-2-4-10(9)13(19)17-16-11;/h1-8,14H2,(H,15,18)(H,17,19);1H
InChIKeyMUIWCZHYCJUHJN-UHFFFAOYSA-N
XLogP0.08
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide;hydrochloride (CID 66966582) is N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide;hydrochloride is Cl.NCCNC(=O)CCc1n[nH]c(=O)c2c1CCCC2.
What is the InChIKey of N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide;hydrochloride?
The InChIKey is MUIWCZHYCJUHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2.ClH/c14-7-8-15-12(18)6-5-11-9-3-1-2-4-10(9)13(19)17-16-11;/h1-8,14H2,(H,15,18)(H,17,19);1H.
What are the key properties of N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide;hydrochloride?
N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 66966582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).