2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol

C9H10N6O — CID 135461165

IUPAC2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol
SMILESNc1n[nH]c(N)c1/N=N/c1ccccc1O
InChIInChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-3-1-2-4-6(5)16/h1-4,16H,(H5,10,11,14,15)/b13-12+
InChIKeyNMUKEYNAORQEIT-OUKQBFOZSA-N
MW218.22 g/mol
LogP1.70
Rot. Bonds2

About 2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol

2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol (PubChem CID 135461165) has the molecular formula C9H10N6O and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol.

Molecular Properties

Compound Name2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol
PubChem CID135461165
Molecular FormulaC9H10N6O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol
SMILESNc1n[nH]c(N)c1/N=N/c1ccccc1O
InChIInChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-3-1-2-4-6(5)16/h1-4,16H,(H5,10,11,14,15)/b13-12+
InChIKeyNMUKEYNAORQEIT-OUKQBFOZSA-N
XLogP1.70
TPSA125.67 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol?
The IUPAC name of 2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol (CID 135461165) is 2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol.
What is the SMILES notation for 2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol?
The canonical SMILES for 2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol is Nc1n[nH]c(N)c1/N=N/c1ccccc1O.
What is the InChIKey of 2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol?
The InChIKey is NMUKEYNAORQEIT-OUKQBFOZSA-N. The full InChI is InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-3-1-2-4-6(5)16/h1-4,16H,(H5,10,11,14,15)/b13-12+.
What are the key properties of 2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol?
2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol has a molecular weight of 218.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol is sourced from PubChem (CID 135461165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).