2-(2-aminoethyl)-5,6,7,8-tetrahydrophthalazin-1-one

C10H15N3O — CID 82505114

IUPAC2-(2-aminoethyl)-5,6,7,8-tetrahydrophthalazin-1-one
SMILESNCCn1ncc2c(c1=O)CCCC2
InChIInChI=1S/C10H15N3O/c11-5-6-13-10(14)9-4-2-1-3-8(9)7-12-13/h7H,1-6,11H2
InChIKeyVNBVMFIRSFRFDU-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.08
Rot. Bonds2

About 2-(2-aminoethyl)-5,6,7,8-tetrahydrophthalazin-1-one

2-(2-aminoethyl)-5,6,7,8-tetrahydrophthalazin-1-one (PubChem CID 82505114) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5,6,7,8-tetrahydrophthalazin-1-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-5,6,7,8-tetrahydrophthalazin-1-one
PubChem CID82505114
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(2-aminoethyl)-5,6,7,8-tetrahydrophthalazin-1-one
SMILESNCCn1ncc2c(c1=O)CCCC2
InChIInChI=1S/C10H15N3O/c11-5-6-13-10(14)9-4-2-1-3-8(9)7-12-13/h7H,1-6,11H2
InChIKeyVNBVMFIRSFRFDU-UHFFFAOYSA-N
XLogP0.08
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]acetamide
CID 59825266
2-amino-N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]acetamide
CID 66966042
4-[2-(2-aminoethylamino)ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 66966089
N-[2-(ethylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
CID 66966360
N-[2-(methylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
CID 66966561
N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide;hydrochloride
CID 66966582
N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide
CID 66966583
N-(2-aminoethyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
CID 66966597
2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[2-(propylamino)ethyl]acetamide
CID 66966719
2-Methyl-5,6,7,8-tetrahydrophthalazin-1-one
CID 90738135
2-Propan-2-yl-5,6,7,8-tetrahydrophthalazin-1-one
CID 146189239
Ethane;2-methyl-5,6,7,8-tetrahydrophthalazin-1-one
CID 153352943

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5,6,7,8-tetrahydrophthalazin-1-one?
The IUPAC name of 2-(2-aminoethyl)-5,6,7,8-tetrahydrophthalazin-1-one (CID 82505114) is 2-(2-aminoethyl)-5,6,7,8-tetrahydrophthalazin-1-one.
What is the SMILES notation for 2-(2-aminoethyl)-5,6,7,8-tetrahydrophthalazin-1-one?
The canonical SMILES for 2-(2-aminoethyl)-5,6,7,8-tetrahydrophthalazin-1-one is NCCn1ncc2c(c1=O)CCCC2.
What is the InChIKey of 2-(2-aminoethyl)-5,6,7,8-tetrahydrophthalazin-1-one?
The InChIKey is VNBVMFIRSFRFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-5-6-13-10(14)9-4-2-1-3-8(9)7-12-13/h7H,1-6,11H2.
What are the key properties of 2-(2-aminoethyl)-5,6,7,8-tetrahydrophthalazin-1-one?
2-(2-aminoethyl)-5,6,7,8-tetrahydrophthalazin-1-one has a molecular weight of 193.25 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5,6,7,8-tetrahydrophthalazin-1-one is sourced from PubChem (CID 82505114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).