N-[2-(2-aminoethoxy)ethyl]phthalazin-1-amine

C12H16N4O — CID 63767046

IUPACN-[2-(2-aminoethoxy)ethyl]phthalazin-1-amine
SMILESNCCOCCNc1nncc2ccccc12
InChIInChI=1S/C12H16N4O/c13-5-7-17-8-6-14-12-11-4-2-1-3-10(11)9-15-16-12/h1-4,9H,5-8,13H2,(H,14,16)
InChIKeyUSLKCTILWCPXQY-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.02
Rot. Bonds6

About N-[2-(2-aminoethoxy)ethyl]phthalazin-1-amine

N-[2-(2-aminoethoxy)ethyl]phthalazin-1-amine (PubChem CID 63767046) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]phthalazin-1-amine.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]phthalazin-1-amine
PubChem CID63767046
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-[2-(2-aminoethoxy)ethyl]phthalazin-1-amine
SMILESNCCOCCNc1nncc2ccccc12
InChIInChI=1S/C12H16N4O/c13-5-7-17-8-6-14-12-11-4-2-1-3-10(11)9-15-16-12/h1-4,9H,5-8,13H2,(H,14,16)
InChIKeyUSLKCTILWCPXQY-UHFFFAOYSA-N
XLogP1.02
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]phthalazin-1-amine?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]phthalazin-1-amine (CID 63767046) is N-[2-(2-aminoethoxy)ethyl]phthalazin-1-amine.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]phthalazin-1-amine?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]phthalazin-1-amine is NCCOCCNc1nncc2ccccc12.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]phthalazin-1-amine?
The InChIKey is USLKCTILWCPXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-5-7-17-8-6-14-12-11-4-2-1-3-10(11)9-15-16-12/h1-4,9H,5-8,13H2,(H,14,16).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]phthalazin-1-amine?
N-[2-(2-aminoethoxy)ethyl]phthalazin-1-amine has a molecular weight of 232.29 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]phthalazin-1-amine is sourced from PubChem (CID 63767046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).