(5-nitro-6-propylsulfanyl-2-pyridinyl)hydrazine

C8H12N4O2S — CID 80924423

IUPAC(5-nitro-6-propylsulfanyl-2-pyridinyl)hydrazine
SMILESCCCSc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H12N4O2S/c1-2-5-15-8-6(12(13)14)3-4-7(10-8)11-9/h3-4H,2,5,9H2,1H3,(H,10,11)
InChIKeySJRUCEPUZPDVIC-UHFFFAOYSA-N
MW228.28 g/mol
LogP1.78
Rot. Bonds5

About (5-nitro-6-propylsulfanyl-2-pyridinyl)hydrazine

(5-nitro-6-propylsulfanyl-2-pyridinyl)hydrazine (PubChem CID 80924423) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is (5-nitro-6-propylsulfanyl-2-pyridinyl)hydrazine.

Molecular Properties

Compound Name(5-nitro-6-propylsulfanyl-2-pyridinyl)hydrazine
PubChem CID80924423
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name(5-nitro-6-propylsulfanyl-2-pyridinyl)hydrazine
SMILESCCCSc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H12N4O2S/c1-2-5-15-8-6(12(13)14)3-4-7(10-8)11-9/h3-4H,2,5,9H2,1H3,(H,10,11)
InChIKeySJRUCEPUZPDVIC-UHFFFAOYSA-N
XLogP1.78
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-butylsulfanyl-N-ethyl-5-nitropyridin-2-amine
CID 80883977
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]propane-1,2-diol
CID 80926673
N-ethyl-6-(3-methylbutylsulfanyl)-5-nitropyridin-2-amine
CID 107766034
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
5-nitro-6-pentylsulfanylpyridin-2-amine
CID 107765410
6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine
CID 80912104
N,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80916699
(5-nitro-6-thiophen-2-ylsulfanyl-2-pyridinyl)hydrazine
CID 80924380
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 80929026
[6-(3-chlorophenyl)sulfanyl-5-nitro-2-pyridinyl]hydrazine
CID 80923607
N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 103466734
2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide
CID 115323386

Frequently Asked Questions

What is the IUPAC name of (5-nitro-6-propylsulfanyl-2-pyridinyl)hydrazine?
The IUPAC name of (5-nitro-6-propylsulfanyl-2-pyridinyl)hydrazine (CID 80924423) is (5-nitro-6-propylsulfanyl-2-pyridinyl)hydrazine.
What is the SMILES notation for (5-nitro-6-propylsulfanyl-2-pyridinyl)hydrazine?
The canonical SMILES for (5-nitro-6-propylsulfanyl-2-pyridinyl)hydrazine is CCCSc1nc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of (5-nitro-6-propylsulfanyl-2-pyridinyl)hydrazine?
The InChIKey is SJRUCEPUZPDVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-2-5-15-8-6(12(13)14)3-4-7(10-8)11-9/h3-4H,2,5,9H2,1H3,(H,10,11).
What are the key properties of (5-nitro-6-propylsulfanyl-2-pyridinyl)hydrazine?
(5-nitro-6-propylsulfanyl-2-pyridinyl)hydrazine has a molecular weight of 228.28 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitro-6-propylsulfanyl-2-pyridinyl)hydrazine is sourced from PubChem (CID 80924423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).