5-nitro-3-piperazin-1-yl-1H-indazole

C11H13N5O2 — CID 71748554

IUPAC5-nitro-3-piperazin-1-yl-1H-indazole
SMILESO=[N+]([O-])c1ccc2[nH]nc(N3CCNCC3)c2c1
InChIInChI=1S/C11H13N5O2/c17-16(18)8-1-2-10-9(7-8)11(14-13-10)15-5-3-12-4-6-15/h1-2,7,12H,3-6H2,(H,13,14)
InChIKeyGLTHCKMBVOYIIY-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.88
Rot. Bonds2

About 5-nitro-3-piperazin-1-yl-1H-indazole

5-nitro-3-piperazin-1-yl-1H-indazole (PubChem CID 71748554) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 5-nitro-3-piperazin-1-yl-1H-indazole.

Molecular Properties

Compound Name5-nitro-3-piperazin-1-yl-1H-indazole
PubChem CID71748554
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name5-nitro-3-piperazin-1-yl-1H-indazole
SMILESO=[N+]([O-])c1ccc2[nH]nc(N3CCNCC3)c2c1
InChIInChI=1S/C11H13N5O2/c17-16(18)8-1-2-10-9(7-8)11(14-13-10)15-5-3-12-4-6-15/h1-2,7,12H,3-6H2,(H,13,14)
InChIKeyGLTHCKMBVOYIIY-UHFFFAOYSA-N
XLogP0.88
TPSA87.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylpiperazin-1-yl)-5-nitro-1H-indazole
CID 10244398
6-nitro-2,3-di(piperazin-1-yl)quinoxaline
CID 5009613
5-nitro-N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride
CID 119391354
3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-nitro-1H-indazole
CID 162715701
3-bromo-6-nitro-1H-cinnolin-4-one
CID 20505029
5-nitro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide
CID 120811569
1-(3-nitrophenyl)piperazine
CID 2760216
1-[4-nitro-2-(1,2,4-triazol-4-yl)phenyl]piperazine
CID 56737324
1-(3-nitrophenyl)piperazine;hydrochloride
CID 2760215
6-nitro-2-piperazin-1-yl-1,3-benzoxazole
CID 79883049
1-(2-tert-butyl-4-nitrophenyl)piperazine
CID 139271864
(2,3-dimethylpiperazin-1-yl)-(5-nitro-1H-indazol-3-yl)methanone;hydrochloride
CID 120571128

Frequently Asked Questions

What is the IUPAC name of 5-nitro-3-piperazin-1-yl-1H-indazole?
The IUPAC name of 5-nitro-3-piperazin-1-yl-1H-indazole (CID 71748554) is 5-nitro-3-piperazin-1-yl-1H-indazole.
What is the SMILES notation for 5-nitro-3-piperazin-1-yl-1H-indazole?
The canonical SMILES for 5-nitro-3-piperazin-1-yl-1H-indazole is O=[N+]([O-])c1ccc2[nH]nc(N3CCNCC3)c2c1.
What is the InChIKey of 5-nitro-3-piperazin-1-yl-1H-indazole?
The InChIKey is GLTHCKMBVOYIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c17-16(18)8-1-2-10-9(7-8)11(14-13-10)15-5-3-12-4-6-15/h1-2,7,12H,3-6H2,(H,13,14).
What are the key properties of 5-nitro-3-piperazin-1-yl-1H-indazole?
5-nitro-3-piperazin-1-yl-1H-indazole has a molecular weight of 247.26 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-3-piperazin-1-yl-1H-indazole is sourced from PubChem (CID 71748554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).