2-(5-nitroindazol-1-yl)acetohydrazide

C9H9N5O3 — CID 46934769

IUPAC2-(5-nitroindazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1ncc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C9H9N5O3/c10-12-9(15)5-13-8-2-1-7(14(16)17)3-6(8)4-11-13/h1-4H,5,10H2,(H,12,15)
InChIKeyDGAWJHVAENNJEY-UHFFFAOYSA-N
MW235.20 g/mol
LogP-0.07
Rot. Bonds3

About 2-(5-nitroindazol-1-yl)acetohydrazide

2-(5-nitroindazol-1-yl)acetohydrazide (PubChem CID 46934769) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-(5-nitroindazol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(5-nitroindazol-1-yl)acetohydrazide
PubChem CID46934769
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name2-(5-nitroindazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1ncc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C9H9N5O3/c10-12-9(15)5-13-8-2-1-7(14(16)17)3-6(8)4-11-13/h1-4H,5,10H2,(H,12,15)
InChIKeyDGAWJHVAENNJEY-UHFFFAOYSA-N
XLogP-0.07
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-(5-nitroindazol-1-yl)acetohydrazide?
The IUPAC name of 2-(5-nitroindazol-1-yl)acetohydrazide (CID 46934769) is 2-(5-nitroindazol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(5-nitroindazol-1-yl)acetohydrazide?
The canonical SMILES for 2-(5-nitroindazol-1-yl)acetohydrazide is NNC(=O)Cn1ncc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 2-(5-nitroindazol-1-yl)acetohydrazide?
The InChIKey is DGAWJHVAENNJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c10-12-9(15)5-13-8-2-1-7(14(16)17)3-6(8)4-11-13/h1-4H,5,10H2,(H,12,15).
What are the key properties of 2-(5-nitroindazol-1-yl)acetohydrazide?
2-(5-nitroindazol-1-yl)acetohydrazide has a molecular weight of 235.20 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitroindazol-1-yl)acetohydrazide is sourced from PubChem (CID 46934769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).