2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol

C11H14N4O — CID 116973631

IUPAC2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol
SMILESCN(CCO)c1ccc(-c2cc[nH]c2)nn1
InChIInChI=1S/C11H14N4O/c1-15(6-7-16)11-3-2-10(13-14-11)9-4-5-12-8-9/h2-5,8,12,16H,6-7H2,1H3
InChIKeyRWGCRMLAKAAESF-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.90
Rot. Bonds4

About 2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol

2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol (PubChem CID 116973631) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol
PubChem CID116973631
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol
SMILESCN(CCO)c1ccc(-c2cc[nH]c2)nn1
InChIInChI=1S/C11H14N4O/c1-15(6-7-16)11-3-2-10(13-14-11)9-4-5-12-8-9/h2-5,8,12,16H,6-7H2,1H3
InChIKeyRWGCRMLAKAAESF-UHFFFAOYSA-N
XLogP0.90
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-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-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol?
The IUPAC name of 2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol (CID 116973631) is 2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol?
The canonical SMILES for 2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol is CN(CCO)c1ccc(-c2cc[nH]c2)nn1.
What is the InChIKey of 2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol?
The InChIKey is RWGCRMLAKAAESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15(6-7-16)11-3-2-10(13-14-11)9-4-5-12-8-9/h2-5,8,12,16H,6-7H2,1H3.
What are the key properties of 2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol?
2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol has a molecular weight of 218.26 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol is sourced from PubChem (CID 116973631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).