2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethanol;hydrochloride

C13H16ClN3O — CID 6410634

IUPAC2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethanol;hydrochloride
SMILESCc1cc(-c2ccccc2)nnc1NCCO.Cl
InChIInChI=1S/C13H15N3O.ClH/c1-10-9-12(11-5-3-2-4-6-11)15-16-13(10)14-7-8-17;/h2-6,9,17H,7-8H2,1H3,(H,14,16);1H
InChIKeyFPUZEDPAPUSJLU-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.28
Rot. Bonds4

About 2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethanol;hydrochloride

2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethanol;hydrochloride (PubChem CID 6410634) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethanol;hydrochloride
PubChem CID6410634
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethanol;hydrochloride
SMILESCc1cc(-c2ccccc2)nnc1NCCO.Cl
InChIInChI=1S/C13H15N3O.ClH/c1-10-9-12(11-5-3-2-4-6-11)15-16-13(10)14-7-8-17;/h2-6,9,17H,7-8H2,1H3,(H,14,16);1H
InChIKeyFPUZEDPAPUSJLU-UHFFFAOYSA-N
XLogP2.28
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethanol;hydrochloride?
The IUPAC name of 2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethanol;hydrochloride (CID 6410634) is 2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethanol;hydrochloride?
The canonical SMILES for 2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethanol;hydrochloride is Cc1cc(-c2ccccc2)nnc1NCCO.Cl.
What is the InChIKey of 2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethanol;hydrochloride?
The InChIKey is FPUZEDPAPUSJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O.ClH/c1-10-9-12(11-5-3-2-4-6-11)15-16-13(10)14-7-8-17;/h2-6,9,17H,7-8H2,1H3,(H,14,16);1H.
What are the key properties of 2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethanol;hydrochloride?
2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethanol;hydrochloride has a molecular weight of 265.74 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethanol;hydrochloride is sourced from PubChem (CID 6410634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).