1-hydroxyindazole-3,4-diamine

C7H8N4O — CID 69378246

IUPAC1-hydroxyindazole-3,4-diamine
SMILESNc1cccc2c1c(N)nn2O
InChIInChI=1S/C7H8N4O/c8-4-2-1-3-5-6(4)7(9)10-11(5)12/h1-3,12H,8H2,(H2,9,10)
InChIKeyZSIWIIFGISVBPN-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.44
Rot. Bonds

About 1-hydroxyindazole-3,4-diamine

1-hydroxyindazole-3,4-diamine (PubChem CID 69378246) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 1-hydroxyindazole-3,4-diamine.

Molecular Properties

Compound Name1-hydroxyindazole-3,4-diamine
PubChem CID69378246
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name1-hydroxyindazole-3,4-diamine
SMILESNc1cccc2c1c(N)nn2O
InChIInChI=1S/C7H8N4O/c8-4-2-1-3-5-6(4)7(9)10-11(5)12/h1-3,12H,8H2,(H2,9,10)
InChIKeyZSIWIIFGISVBPN-UHFFFAOYSA-N
XLogP0.44
TPSA90.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxyindazole-3,4-diamine?
The IUPAC name of 1-hydroxyindazole-3,4-diamine (CID 69378246) is 1-hydroxyindazole-3,4-diamine.
What is the SMILES notation for 1-hydroxyindazole-3,4-diamine?
The canonical SMILES for 1-hydroxyindazole-3,4-diamine is Nc1cccc2c1c(N)nn2O.
What is the InChIKey of 1-hydroxyindazole-3,4-diamine?
The InChIKey is ZSIWIIFGISVBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c8-4-2-1-3-5-6(4)7(9)10-11(5)12/h1-3,12H,8H2,(H2,9,10).
What are the key properties of 1-hydroxyindazole-3,4-diamine?
1-hydroxyindazole-3,4-diamine has a molecular weight of 164.17 g/mol, XLogP of 0.44, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyindazole-3,4-diamine is sourced from PubChem (CID 69378246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).