2-amino-5-(2-hydroxyethylamino)benzonitrile

C9H11N3O — CID 15827831

IUPAC2-amino-5-(2-hydroxyethylamino)benzonitrile
SMILESN#Cc1cc(NCCO)ccc1N
InChIInChI=1S/C9H11N3O/c10-6-7-5-8(12-3-4-13)1-2-9(7)11/h1-2,5,12-13H,3-4,11H2
InChIKeyCWXUHHBZPLBLPL-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.54
Rot. Bonds3

About 2-amino-5-(2-hydroxyethylamino)benzonitrile

2-amino-5-(2-hydroxyethylamino)benzonitrile (PubChem CID 15827831) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-amino-5-(2-hydroxyethylamino)benzonitrile.

Molecular Properties

Compound Name2-amino-5-(2-hydroxyethylamino)benzonitrile
PubChem CID15827831
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-amino-5-(2-hydroxyethylamino)benzonitrile
SMILESN#Cc1cc(NCCO)ccc1N
InChIInChI=1S/C9H11N3O/c10-6-7-5-8(12-3-4-13)1-2-9(7)11/h1-2,5,12-13H,3-4,11H2
InChIKeyCWXUHHBZPLBLPL-UHFFFAOYSA-N
XLogP0.54
TPSA82.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-5-(2-hydroxyethylamino)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-(2-aminoethylamino)benzonitrile
CID 115499405
2-(4-amino-3-cyanoanilino)ethylurea
CID 83115999
5-(4-amino-3-cyanoanilino)pentanamide
CID 106234240
2-amino-5-(2-cyclopropylethylamino)benzonitrile
CID 115499584
2-amino-5-(4-hydroxypentylamino)benzonitrile
CID 106119857
2-amino-5-(4-methylpentylamino)benzonitrile
CID 115499455
2-amino-5-(4-amino-3-cyanoanilino)benzonitrile
CID 162352092
2-amino-5-(3-phenylpropylamino)benzonitrile
CID 115499167
2-amino-5-[2-[di(propan-2-yl)amino]ethylamino]benzonitrile
CID 115498963
2-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]benzonitrile
CID 114139297
2-amino-5-[2-(2-methylprop-2-enoxy)ethylamino]benzonitrile
CID 114465249
2-amino-5-(2-methylpropylamino)benzonitrile
CID 115498956

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-hydroxyethylamino)benzonitrile?
The IUPAC name of 2-amino-5-(2-hydroxyethylamino)benzonitrile (CID 15827831) is 2-amino-5-(2-hydroxyethylamino)benzonitrile.
What is the SMILES notation for 2-amino-5-(2-hydroxyethylamino)benzonitrile?
The canonical SMILES for 2-amino-5-(2-hydroxyethylamino)benzonitrile is N#Cc1cc(NCCO)ccc1N.
What is the InChIKey of 2-amino-5-(2-hydroxyethylamino)benzonitrile?
The InChIKey is CWXUHHBZPLBLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c10-6-7-5-8(12-3-4-13)1-2-9(7)11/h1-2,5,12-13H,3-4,11H2.
What are the key properties of 2-amino-5-(2-hydroxyethylamino)benzonitrile?
2-amino-5-(2-hydroxyethylamino)benzonitrile has a molecular weight of 177.21 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-hydroxyethylamino)benzonitrile is sourced from PubChem (CID 15827831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).