1-(6-amino-3-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]ethanol

C12H21N3O2 — CID 143271688

IUPAC1-(6-amino-3-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]ethanol
SMILESCCCN(CCO)CC(O)c1ccc(N)nc1
InChIInChI=1S/C12H21N3O2/c1-2-5-15(6-7-16)9-11(17)10-3-4-12(13)14-8-10/h3-4,8,11,16-17H,2,5-7,9H2,1H3,(H2,13,14)
InChIKeyQMRMZNGPMCPMOT-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.40
Rot. Bonds7

About 1-(6-amino-3-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]ethanol

1-(6-amino-3-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]ethanol (PubChem CID 143271688) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(6-amino-3-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]ethanol.

Molecular Properties

Compound Name1-(6-amino-3-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]ethanol
PubChem CID143271688
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-(6-amino-3-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]ethanol
SMILESCCCN(CCO)CC(O)c1ccc(N)nc1
InChIInChI=1S/C12H21N3O2/c1-2-5-15(6-7-16)9-11(17)10-3-4-12(13)14-8-10/h3-4,8,11,16-17H,2,5-7,9H2,1H3,(H2,13,14)
InChIKeyQMRMZNGPMCPMOT-UHFFFAOYSA-N
XLogP0.40
TPSA82.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(6-amino-3-pyridinyl)-2-[2-hydroxyethyl(propyl)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 1-(6-amino-3-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]ethanol?
The IUPAC name of 1-(6-amino-3-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]ethanol (CID 143271688) is 1-(6-amino-3-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]ethanol.
What is the SMILES notation for 1-(6-amino-3-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]ethanol?
The canonical SMILES for 1-(6-amino-3-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]ethanol is CCCN(CCO)CC(O)c1ccc(N)nc1.
What is the InChIKey of 1-(6-amino-3-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]ethanol?
The InChIKey is QMRMZNGPMCPMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-5-15(6-7-16)9-11(17)10-3-4-12(13)14-8-10/h3-4,8,11,16-17H,2,5-7,9H2,1H3,(H2,13,14).
What are the key properties of 1-(6-amino-3-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]ethanol?
1-(6-amino-3-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]ethanol has a molecular weight of 239.32 g/mol, XLogP of 0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]ethanol is sourced from PubChem (CID 143271688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).