3-[(2-amino-3-pyridinyl)amino]butan-1-ol

C9H15N3O — CID 104540669

IUPAC3-[(2-amino-3-pyridinyl)amino]butan-1-ol
SMILESCC(CCO)Nc1cccnc1N
InChIInChI=1S/C9H15N3O/c1-7(4-6-13)12-8-3-2-5-11-9(8)10/h2-3,5,7,12-13H,4,6H2,1H3,(H2,10,11)
InChIKeyIZFDNGBYJAPSEB-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.85
Rot. Bonds4

About 3-[(2-amino-3-pyridinyl)amino]butan-1-ol

3-[(2-amino-3-pyridinyl)amino]butan-1-ol (PubChem CID 104540669) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-[(2-amino-3-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(2-amino-3-pyridinyl)amino]butan-1-ol
PubChem CID104540669
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-[(2-amino-3-pyridinyl)amino]butan-1-ol
SMILESCC(CCO)Nc1cccnc1N
InChIInChI=1S/C9H15N3O/c1-7(4-6-13)12-8-3-2-5-11-9(8)10/h2-3,5,7,12-13H,4,6H2,1H3,(H2,10,11)
InChIKeyIZFDNGBYJAPSEB-UHFFFAOYSA-N
XLogP0.85
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(2-amino-3-pyridinyl)amino]butan-1-ol 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 3-[(2-amino-3-pyridinyl)amino]butan-1-ol?
The IUPAC name of 3-[(2-amino-3-pyridinyl)amino]butan-1-ol (CID 104540669) is 3-[(2-amino-3-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for 3-[(2-amino-3-pyridinyl)amino]butan-1-ol?
The canonical SMILES for 3-[(2-amino-3-pyridinyl)amino]butan-1-ol is CC(CCO)Nc1cccnc1N.
What is the InChIKey of 3-[(2-amino-3-pyridinyl)amino]butan-1-ol?
The InChIKey is IZFDNGBYJAPSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(4-6-13)12-8-3-2-5-11-9(8)10/h2-3,5,7,12-13H,4,6H2,1H3,(H2,10,11).
What are the key properties of 3-[(2-amino-3-pyridinyl)amino]butan-1-ol?
3-[(2-amino-3-pyridinyl)amino]butan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 104540669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).