4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]pyrazole-3,5-diamine

C8H9N7O — CID 118728864

IUPAC4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]pyrazole-3,5-diamine
SMILESNC1=NN=C(N)C1=N/N=c1\ccccn1O
InChIInChI=1S/C8H9N7O/c9-7-6(8(10)14-13-7)12-11-5-3-1-2-4-15(5)16/h1-4,16H,(H4,9,10,12,13,14)/b11-5+
InChIKeyNJRRXZAGVRJMNW-VZUCSPMQSA-N
MW219.21 g/mol
LogP-1.37
Rot. Bonds1

About 4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]pyrazole-3,5-diamine

4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]pyrazole-3,5-diamine (PubChem CID 118728864) has the molecular formula C8H9N7O and a molecular weight of 219.21 g/mol. Its IUPAC name is 4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]pyrazole-3,5-diamine
PubChem CID118728864
Molecular FormulaC8H9N7O
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]pyrazole-3,5-diamine
SMILESNC1=NN=C(N)C1=N/N=c1\ccccn1O
InChIInChI=1S/C8H9N7O/c9-7-6(8(10)14-13-7)12-11-5-3-1-2-4-15(5)16/h1-4,16H,(H4,9,10,12,13,14)/b11-5+
InChIKeyNJRRXZAGVRJMNW-VZUCSPMQSA-N
XLogP-1.37
TPSA126.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]pyrazole-3,5-diamine 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 4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]pyrazole-3,5-diamine?
The IUPAC name of 4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]pyrazole-3,5-diamine (CID 118728864) is 4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]pyrazole-3,5-diamine.
What is the SMILES notation for 4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]pyrazole-3,5-diamine?
The canonical SMILES for 4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]pyrazole-3,5-diamine is NC1=NN=C(N)C1=N/N=c1\ccccn1O.
What is the InChIKey of 4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]pyrazole-3,5-diamine?
The InChIKey is NJRRXZAGVRJMNW-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H9N7O/c9-7-6(8(10)14-13-7)12-11-5-3-1-2-4-15(5)16/h1-4,16H,(H4,9,10,12,13,14)/b11-5+.
What are the key properties of 4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]pyrazole-3,5-diamine?
4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]pyrazole-3,5-diamine has a molecular weight of 219.21 g/mol, XLogP of -1.37, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]pyrazole-3,5-diamine is sourced from PubChem (CID 118728864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).