(6-indazol-1-yl-5-nitropyrimidin-4-yl)hydrazine

C11H9N7O2 — CID 80901482

IUPAC(6-indazol-1-yl-5-nitropyrimidin-4-yl)hydrazine
SMILESNNc1ncnc(-n2ncc3ccccc32)c1[N+](=O)[O-]
InChIInChI=1S/C11H9N7O2/c12-16-10-9(18(19)20)11(14-6-13-10)17-8-4-2-1-3-7(8)5-15-17/h1-6H,12H2,(H,13,14,16)
InChIKeyHFFJKOUPRYUFOS-UHFFFAOYSA-N
MW271.24 g/mol
LogP1.01
Rot. Bonds3

About (6-indazol-1-yl-5-nitropyrimidin-4-yl)hydrazine

(6-indazol-1-yl-5-nitropyrimidin-4-yl)hydrazine (PubChem CID 80901482) has the molecular formula C11H9N7O2 and a molecular weight of 271.24 g/mol. Its IUPAC name is (6-indazol-1-yl-5-nitropyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(6-indazol-1-yl-5-nitropyrimidin-4-yl)hydrazine
PubChem CID80901482
Molecular FormulaC11H9N7O2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC Name(6-indazol-1-yl-5-nitropyrimidin-4-yl)hydrazine
SMILESNNc1ncnc(-n2ncc3ccccc32)c1[N+](=O)[O-]
InChIInChI=1S/C11H9N7O2/c12-16-10-9(18(19)20)11(14-6-13-10)17-8-4-2-1-3-7(8)5-15-17/h1-6H,12H2,(H,13,14,16)
InChIKeyHFFJKOUPRYUFOS-UHFFFAOYSA-N
XLogP1.01
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

(6-indazol-1-yl-5-nitro-2-pyridinyl)hydrazine
CID 80902122
6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine
CID 80857559
6-(benzotriazol-1-yl)-N-tert-butyl-5-nitropyrimidin-4-amine
CID 23478853
N-ethyl-6-indazol-1-yl-5-propylpyrimidin-4-amine
CID 80841529
N-[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine
CID 22527352
N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methylquinolin-8-amine
CID 22527405
6-(benzotriazol-1-yl)-N-(2-methylphenyl)-5-nitropyrimidin-4-amine
CID 22532015
[6-(4-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
CID 80896386
6-hydrazinyl-N-(1-methylpyrazol-4-yl)-5-nitropyrimidin-4-amine
CID 80930058
[6-(2-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine
CID 80920818
6-hydrazinyl-5-nitro-N-(2-phenylcyclopropyl)pyrimidin-4-amine
CID 80902156
N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80944111

Frequently Asked Questions

What is the IUPAC name of (6-indazol-1-yl-5-nitropyrimidin-4-yl)hydrazine?
The IUPAC name of (6-indazol-1-yl-5-nitropyrimidin-4-yl)hydrazine (CID 80901482) is (6-indazol-1-yl-5-nitropyrimidin-4-yl)hydrazine.
What is the SMILES notation for (6-indazol-1-yl-5-nitropyrimidin-4-yl)hydrazine?
The canonical SMILES for (6-indazol-1-yl-5-nitropyrimidin-4-yl)hydrazine is NNc1ncnc(-n2ncc3ccccc32)c1[N+](=O)[O-].
What is the InChIKey of (6-indazol-1-yl-5-nitropyrimidin-4-yl)hydrazine?
The InChIKey is HFFJKOUPRYUFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7O2/c12-16-10-9(18(19)20)11(14-6-13-10)17-8-4-2-1-3-7(8)5-15-17/h1-6H,12H2,(H,13,14,16).
What are the key properties of (6-indazol-1-yl-5-nitropyrimidin-4-yl)hydrazine?
(6-indazol-1-yl-5-nitropyrimidin-4-yl)hydrazine has a molecular weight of 271.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6-indazol-1-yl-5-nitropyrimidin-4-yl)hydrazine is sourced from PubChem (CID 80901482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).