2-(hydroxymethyl)-4-(pyrazin-2-ylmethylamino)phenol

C12H13N3O2 — CID 83962559

IUPAC2-(hydroxymethyl)-4-(pyrazin-2-ylmethylamino)phenol
SMILESOCc1cc(NCc2cnccn2)ccc1O
InChIInChI=1S/C12H13N3O2/c16-8-9-5-10(1-2-12(9)17)15-7-11-6-13-3-4-14-11/h1-6,15-17H,7-8H2
InChIKeyICHZPJWCSGNEII-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.29
Rot. Bonds4

About 2-(hydroxymethyl)-4-(pyrazin-2-ylmethylamino)phenol

2-(hydroxymethyl)-4-(pyrazin-2-ylmethylamino)phenol (PubChem CID 83962559) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-(pyrazin-2-ylmethylamino)phenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-(pyrazin-2-ylmethylamino)phenol
PubChem CID83962559
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-(hydroxymethyl)-4-(pyrazin-2-ylmethylamino)phenol
SMILESOCc1cc(NCc2cnccn2)ccc1O
InChIInChI=1S/C12H13N3O2/c16-8-9-5-10(1-2-12(9)17)15-7-11-6-13-3-4-14-11/h1-6,15-17H,7-8H2
InChIKeyICHZPJWCSGNEII-UHFFFAOYSA-N
XLogP1.29
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(hydroxymethyl)-4-(pyrazin-2-ylmethylamino)phenol 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-(hydroxymethyl)-4-(pyrazin-2-ylmethylamino)phenol?
The IUPAC name of 2-(hydroxymethyl)-4-(pyrazin-2-ylmethylamino)phenol (CID 83962559) is 2-(hydroxymethyl)-4-(pyrazin-2-ylmethylamino)phenol.
What is the SMILES notation for 2-(hydroxymethyl)-4-(pyrazin-2-ylmethylamino)phenol?
The canonical SMILES for 2-(hydroxymethyl)-4-(pyrazin-2-ylmethylamino)phenol is OCc1cc(NCc2cnccn2)ccc1O.
What is the InChIKey of 2-(hydroxymethyl)-4-(pyrazin-2-ylmethylamino)phenol?
The InChIKey is ICHZPJWCSGNEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-8-9-5-10(1-2-12(9)17)15-7-11-6-13-3-4-14-11/h1-6,15-17H,7-8H2.
What are the key properties of 2-(hydroxymethyl)-4-(pyrazin-2-ylmethylamino)phenol?
2-(hydroxymethyl)-4-(pyrazin-2-ylmethylamino)phenol has a molecular weight of 231.25 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-(pyrazin-2-ylmethylamino)phenol is sourced from PubChem (CID 83962559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).