N-(2-methoxyethyl)phthalazin-1-amine

C11H13N3O — CID 6410647

IUPACN-(2-methoxyethyl)phthalazin-1-amine
SMILESCOCCNc1nncc2ccccc12
InChIInChI=1S/C11H13N3O/c1-15-7-6-12-11-10-5-3-2-4-9(10)8-13-14-11/h2-5,8H,6-7H2,1H3,(H,12,14)
InChIKeyFOKOUNZYXZIHIV-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.69
Rot. Bonds4

About N-(2-methoxyethyl)phthalazin-1-amine

N-(2-methoxyethyl)phthalazin-1-amine (PubChem CID 6410647) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)phthalazin-1-amine
PubChem CID6410647
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN-(2-methoxyethyl)phthalazin-1-amine
SMILESCOCCNc1nncc2ccccc12
InChIInChI=1S/C11H13N3O/c1-15-7-6-12-11-10-5-3-2-4-9(10)8-13-14-11/h2-5,8H,6-7H2,1H3,(H,12,14)
InChIKeyFOKOUNZYXZIHIV-UHFFFAOYSA-N
XLogP1.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyethyl)phthalazin-1-amine?
The IUPAC name of N-(2-methoxyethyl)phthalazin-1-amine (CID 6410647) is N-(2-methoxyethyl)phthalazin-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)phthalazin-1-amine?
The canonical SMILES for N-(2-methoxyethyl)phthalazin-1-amine is COCCNc1nncc2ccccc12.
What is the InChIKey of N-(2-methoxyethyl)phthalazin-1-amine?
The InChIKey is FOKOUNZYXZIHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-15-7-6-12-11-10-5-3-2-4-9(10)8-13-14-11/h2-5,8H,6-7H2,1H3,(H,12,14).
What are the key properties of N-(2-methoxyethyl)phthalazin-1-amine?
N-(2-methoxyethyl)phthalazin-1-amine has a molecular weight of 203.25 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)phthalazin-1-amine is sourced from PubChem (CID 6410647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).