4-hydrazinyl-7-nitro-1,2-dihydroindazol-3-one

C7H7N5O3 — CID 4272497

IUPAC4-hydrazinyl-7-nitro-1,2-dihydroindazol-3-one
SMILESNNc1ccc([N+](=O)[O-])c2[nH][nH]c(=O)c12
InChIInChI=1S/C7H7N5O3/c8-9-3-1-2-4(12(14)15)6-5(3)7(13)11-10-6/h1-2,9H,8H2,(H2,10,11,13)
InChIKeyPUWMGMYFGMMEHU-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.05
Rot. Bonds2

About 4-hydrazinyl-7-nitro-1,2-dihydroindazol-3-one

4-hydrazinyl-7-nitro-1,2-dihydroindazol-3-one (PubChem CID 4272497) has the molecular formula C7H7N5O3 and a molecular weight of 209.17 g/mol. Its IUPAC name is 4-hydrazinyl-7-nitro-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name4-hydrazinyl-7-nitro-1,2-dihydroindazol-3-one
PubChem CID4272497
Molecular FormulaC7H7N5O3
Molecular Weight209.17 g/mol
Exact Mass209.05
IUPAC Name4-hydrazinyl-7-nitro-1,2-dihydroindazol-3-one
SMILESNNc1ccc([N+](=O)[O-])c2[nH][nH]c(=O)c12
InChIInChI=1S/C7H7N5O3/c8-9-3-1-2-4(12(14)15)6-5(3)7(13)11-10-6/h1-2,9H,8H2,(H2,10,11,13)
InChIKeyPUWMGMYFGMMEHU-UHFFFAOYSA-N
XLogP0.05
TPSA129.84 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

Benzamide, 2-amino-3,5-dinitro-
CID 198148
1,2-dihydro-6-nitro-3H-indazol-3-one
CID 3264479
Zinc03012678
CID 2783525
2,3-Dihydro-5-nitro-1H-indazol-3-one
CID 5374661
7-Nitro-1,2-dihydroindazol-3-one
CID 5708331
4-nitro-1H-indazol-3-ol
CID 24728192
4,6-Difluoro-7-nitro-1,2-dihydroindazol-3-one
CID 54583001
2-amino-N'-(2,4-dinitrophenyl)-6-fluorobenzohydrazide
CID 168299443
4-Fluoro-3-hydroxy-7-nitro 1H-indazole
CID 3937499
Di-nitro benzohydrazide
CID 23288491
7-Amino-4-fluoro-1,2-dihydro-3H-indazol-3-one
CID 27274661
7-Fluoro-5-nitro-1H-indazol-3-ol
CID 89666845

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-7-nitro-1,2-dihydroindazol-3-one?
The IUPAC name of 4-hydrazinyl-7-nitro-1,2-dihydroindazol-3-one (CID 4272497) is 4-hydrazinyl-7-nitro-1,2-dihydroindazol-3-one.
What is the SMILES notation for 4-hydrazinyl-7-nitro-1,2-dihydroindazol-3-one?
The canonical SMILES for 4-hydrazinyl-7-nitro-1,2-dihydroindazol-3-one is NNc1ccc([N+](=O)[O-])c2[nH][nH]c(=O)c12.
What is the InChIKey of 4-hydrazinyl-7-nitro-1,2-dihydroindazol-3-one?
The InChIKey is PUWMGMYFGMMEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O3/c8-9-3-1-2-4(12(14)15)6-5(3)7(13)11-10-6/h1-2,9H,8H2,(H2,10,11,13).
What are the key properties of 4-hydrazinyl-7-nitro-1,2-dihydroindazol-3-one?
4-hydrazinyl-7-nitro-1,2-dihydroindazol-3-one has a molecular weight of 209.17 g/mol, XLogP of 0.05, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-7-nitro-1,2-dihydroindazol-3-one is sourced from PubChem (CID 4272497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).