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

C11H14ClN3O — CID 6410646

IUPACN-(2-methoxyethyl)phthalazin-1-amine;hydrochloride
SMILESCOCCNc1nncc2ccccc12.Cl
InChIInChI=1S/C11H13N3O.ClH/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);1H
InChIKeyFVCULMVBFYGMRH-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.11
Rot. Bonds4

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

N-(2-methoxyethyl)phthalazin-1-amine;hydrochloride (PubChem CID 6410646) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is N-(2-methoxyethyl)phthalazin-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxyethyl)phthalazin-1-amine;hydrochloride
PubChem CID6410646
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC NameN-(2-methoxyethyl)phthalazin-1-amine;hydrochloride
SMILESCOCCNc1nncc2ccccc12.Cl
InChIInChI=1S/C11H13N3O.ClH/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);1H
InChIKeyFVCULMVBFYGMRH-UHFFFAOYSA-N
XLogP2.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.11
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;hydrochloride?
The IUPAC name of N-(2-methoxyethyl)phthalazin-1-amine;hydrochloride (CID 6410646) is N-(2-methoxyethyl)phthalazin-1-amine;hydrochloride.
What is the SMILES notation for N-(2-methoxyethyl)phthalazin-1-amine;hydrochloride?
The canonical SMILES for N-(2-methoxyethyl)phthalazin-1-amine;hydrochloride is COCCNc1nncc2ccccc12.Cl.
What is the InChIKey of N-(2-methoxyethyl)phthalazin-1-amine;hydrochloride?
The InChIKey is FVCULMVBFYGMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.ClH/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);1H.
What are the key properties of N-(2-methoxyethyl)phthalazin-1-amine;hydrochloride?
N-(2-methoxyethyl)phthalazin-1-amine;hydrochloride has a molecular weight of 239.71 g/mol, XLogP of 2.11, 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;hydrochloride is sourced from PubChem (CID 6410646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).