2-aminophenol;pyridine-2,3,6-triamine

C11H15N5O — CID 156643993

IUPAC2-aminophenol;pyridine-2,3,6-triamine
SMILESNc1ccc(N)c(N)n1.Nc1ccccc1O
InChIInChI=1S/C6H7NO.C5H8N4/c7-5-3-1-2-4-6(5)8;6-3-1-2-4(7)9-5(3)8/h1-4,8H,7H2;1-2H,6H2,(H4,7,8,9)
InChIKeyHWRCLWIFNZVUCZ-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.80
Rot. Bonds

About 2-aminophenol;pyridine-2,3,6-triamine

2-aminophenol;pyridine-2,3,6-triamine (PubChem CID 156643993) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 2-aminophenol;pyridine-2,3,6-triamine.

Molecular Properties

Compound Name2-aminophenol;pyridine-2,3,6-triamine
PubChem CID156643993
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name2-aminophenol;pyridine-2,3,6-triamine
SMILESNc1ccc(N)c(N)n1.Nc1ccccc1O
InChIInChI=1S/C6H7NO.C5H8N4/c7-5-3-1-2-4-6(5)8;6-3-1-2-4(7)9-5(3)8/h1-4,8H,7H2;1-2H,6H2,(H4,7,8,9)
InChIKeyHWRCLWIFNZVUCZ-UHFFFAOYSA-N
XLogP0.80
TPSA137.20 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminophenol;pyridine-2,3,6-triamine?
The IUPAC name of 2-aminophenol;pyridine-2,3,6-triamine (CID 156643993) is 2-aminophenol;pyridine-2,3,6-triamine.
What is the SMILES notation for 2-aminophenol;pyridine-2,3,6-triamine?
The canonical SMILES for 2-aminophenol;pyridine-2,3,6-triamine is Nc1ccc(N)c(N)n1.Nc1ccccc1O.
What is the InChIKey of 2-aminophenol;pyridine-2,3,6-triamine?
The InChIKey is HWRCLWIFNZVUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.C5H8N4/c7-5-3-1-2-4-6(5)8;6-3-1-2-4(7)9-5(3)8/h1-4,8H,7H2;1-2H,6H2,(H4,7,8,9).
What are the key properties of 2-aminophenol;pyridine-2,3,6-triamine?
2-aminophenol;pyridine-2,3,6-triamine has a molecular weight of 233.28 g/mol, XLogP of 0.80, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminophenol;pyridine-2,3,6-triamine is sourced from PubChem (CID 156643993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).