2-(3-hydrazinyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)acetohydrazide

C13H14N8O2 — CID 139218949

IUPAC2-(3-hydrazinyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)acetohydrazide
SMILESNNC(=O)Cn1ncc2c(NN)n(-c3ccccc3)nc2c1=O
InChIInChI=1S/C13H14N8O2/c14-17-10(22)7-20-13(23)11-9(6-16-20)12(18-15)21(19-11)8-4-2-1-3-5-8/h1-6,18H,7,14-15H2,(H,17,22)
InChIKeyNTQSLOIQVNREQY-UHFFFAOYSA-N
MW314.31 g/mol
LogP-1.14
Rot. Bonds4

About 2-(3-hydrazinyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)acetohydrazide

2-(3-hydrazinyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)acetohydrazide (PubChem CID 139218949) has the molecular formula C13H14N8O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 2-(3-hydrazinyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)acetohydrazide.

Molecular Properties

Compound Name2-(3-hydrazinyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)acetohydrazide
PubChem CID139218949
Molecular FormulaC13H14N8O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name2-(3-hydrazinyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)acetohydrazide
SMILESNNC(=O)Cn1ncc2c(NN)n(-c3ccccc3)nc2c1=O
InChIInChI=1S/C13H14N8O2/c14-17-10(22)7-20-13(23)11-9(6-16-20)12(18-15)21(19-11)8-4-2-1-3-5-8/h1-6,18H,7,14-15H2,(H,17,22)
InChIKeyNTQSLOIQVNREQY-UHFFFAOYSA-N
XLogP-1.14
TPSA145.88 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydrazinyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)acetohydrazide?
The IUPAC name of 2-(3-hydrazinyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)acetohydrazide (CID 139218949) is 2-(3-hydrazinyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)acetohydrazide.
What is the SMILES notation for 2-(3-hydrazinyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)acetohydrazide?
The canonical SMILES for 2-(3-hydrazinyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)acetohydrazide is NNC(=O)Cn1ncc2c(NN)n(-c3ccccc3)nc2c1=O.
What is the InChIKey of 2-(3-hydrazinyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)acetohydrazide?
The InChIKey is NTQSLOIQVNREQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8O2/c14-17-10(22)7-20-13(23)11-9(6-16-20)12(18-15)21(19-11)8-4-2-1-3-5-8/h1-6,18H,7,14-15H2,(H,17,22).
What are the key properties of 2-(3-hydrazinyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)acetohydrazide?
2-(3-hydrazinyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)acetohydrazide has a molecular weight of 314.31 g/mol, XLogP of -1.14, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydrazinyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)acetohydrazide is sourced from PubChem (CID 139218949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).