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

C10H10ClN3O — CID 601621

IUPAC2-[(4-chlorophthalazin-1-yl)amino]ethanol
SMILESOCCNc1nnc(Cl)c2ccccc12
InChIInChI=1S/C10H10ClN3O/c11-9-7-3-1-2-4-8(7)10(14-13-9)12-5-6-15/h1-4,15H,5-6H2,(H,12,14)
InChIKeySUFLGMCESMROMG-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.69
Rot. Bonds3

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

2-[(4-chlorophthalazin-1-yl)amino]ethanol (PubChem CID 601621) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-[(4-chlorophthalazin-1-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-chlorophthalazin-1-yl)amino]ethanol
PubChem CID601621
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name2-[(4-chlorophthalazin-1-yl)amino]ethanol
SMILESOCCNc1nnc(Cl)c2ccccc12
InChIInChI=1S/C10H10ClN3O/c11-9-7-3-1-2-4-8(7)10(14-13-9)12-5-6-15/h1-4,15H,5-6H2,(H,12,14)
InChIKeySUFLGMCESMROMG-UHFFFAOYSA-N
XLogP1.69
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophthalazin-1-yl)amino]ethanol?
The IUPAC name of 2-[(4-chlorophthalazin-1-yl)amino]ethanol (CID 601621) is 2-[(4-chlorophthalazin-1-yl)amino]ethanol.
What is the SMILES notation for 2-[(4-chlorophthalazin-1-yl)amino]ethanol?
The canonical SMILES for 2-[(4-chlorophthalazin-1-yl)amino]ethanol is OCCNc1nnc(Cl)c2ccccc12.
What is the InChIKey of 2-[(4-chlorophthalazin-1-yl)amino]ethanol?
The InChIKey is SUFLGMCESMROMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-9-7-3-1-2-4-8(7)10(14-13-9)12-5-6-15/h1-4,15H,5-6H2,(H,12,14).
What are the key properties of 2-[(4-chlorophthalazin-1-yl)amino]ethanol?
2-[(4-chlorophthalazin-1-yl)amino]ethanol has a molecular weight of 223.66 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophthalazin-1-yl)amino]ethanol is sourced from PubChem (CID 601621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).