2-[(4-methylphthalazin-1-yl)amino]ethanol

C11H13N3O — CID 6408686

IUPAC2-[(4-methylphthalazin-1-yl)amino]ethanol
SMILESCc1nnc(NCCO)c2ccccc12
InChIInChI=1S/C11H13N3O/c1-8-9-4-2-3-5-10(9)11(14-13-8)12-6-7-15/h2-5,15H,6-7H2,1H3,(H,12,14)
InChIKeyMIYOBARAMBZNSO-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.34
Rot. Bonds3

About 2-[(4-methylphthalazin-1-yl)amino]ethanol

2-[(4-methylphthalazin-1-yl)amino]ethanol (PubChem CID 6408686) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-[(4-methylphthalazin-1-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-methylphthalazin-1-yl)amino]ethanol
PubChem CID6408686
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-[(4-methylphthalazin-1-yl)amino]ethanol
SMILESCc1nnc(NCCO)c2ccccc12
InChIInChI=1S/C11H13N3O/c1-8-9-4-2-3-5-10(9)11(14-13-8)12-6-7-15/h2-5,15H,6-7H2,1H3,(H,12,14)
InChIKeyMIYOBARAMBZNSO-UHFFFAOYSA-N
XLogP1.34
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methylphthalazin-1-yl)amino]ethanol 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 2-[(4-methylphthalazin-1-yl)amino]ethanol?
The IUPAC name of 2-[(4-methylphthalazin-1-yl)amino]ethanol (CID 6408686) is 2-[(4-methylphthalazin-1-yl)amino]ethanol.
What is the SMILES notation for 2-[(4-methylphthalazin-1-yl)amino]ethanol?
The canonical SMILES for 2-[(4-methylphthalazin-1-yl)amino]ethanol is Cc1nnc(NCCO)c2ccccc12.
What is the InChIKey of 2-[(4-methylphthalazin-1-yl)amino]ethanol?
The InChIKey is MIYOBARAMBZNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-9-4-2-3-5-10(9)11(14-13-8)12-6-7-15/h2-5,15H,6-7H2,1H3,(H,12,14).
What are the key properties of 2-[(4-methylphthalazin-1-yl)amino]ethanol?
2-[(4-methylphthalazin-1-yl)amino]ethanol has a molecular weight of 203.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphthalazin-1-yl)amino]ethanol is sourced from PubChem (CID 6408686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).