2,3,4-triaminophenol

C6H9N3O — CID 19912768

IUPAC2,3,4-triaminophenol
SMILESNc1ccc(O)c(N)c1N
InChIInChI=1S/C6H9N3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H,7-9H2
InChIKeyXTNHVTIXTMOWGU-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.14
Rot. Bonds

About 2,3,4-triaminophenol

2,3,4-triaminophenol (PubChem CID 19912768) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2,3,4-triaminophenol.

Molecular Properties

Compound Name2,3,4-triaminophenol
PubChem CID19912768
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2,3,4-triaminophenol
SMILESNc1ccc(O)c(N)c1N
InChIInChI=1S/C6H9N3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H,7-9H2
InChIKeyXTNHVTIXTMOWGU-UHFFFAOYSA-N
XLogP0.14
TPSA98.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-triaminophenol?
The IUPAC name of 2,3,4-triaminophenol (CID 19912768) is 2,3,4-triaminophenol.
What is the SMILES notation for 2,3,4-triaminophenol?
The canonical SMILES for 2,3,4-triaminophenol is Nc1ccc(O)c(N)c1N.
What is the InChIKey of 2,3,4-triaminophenol?
The InChIKey is XTNHVTIXTMOWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H,7-9H2.
What are the key properties of 2,3,4-triaminophenol?
2,3,4-triaminophenol has a molecular weight of 139.16 g/mol, XLogP of 0.14, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-triaminophenol is sourced from PubChem (CID 19912768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).