(5-nitro-6-thiomorpholin-4-yl-2-pyridinyl)hydrazine

C9H13N5O2S — CID 80932064

IUPAC(5-nitro-6-thiomorpholin-4-yl-2-pyridinyl)hydrazine
SMILESNNc1ccc([N+](=O)[O-])c(N2CCSCC2)n1
InChIInChI=1S/C9H13N5O2S/c10-12-8-2-1-7(14(15)16)9(11-8)13-3-5-17-6-4-13/h1-2H,3-6,10H2,(H,11,12)
InChIKeyJCGYSENSILVQTI-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.83
Rot. Bonds3

About (5-nitro-6-thiomorpholin-4-yl-2-pyridinyl)hydrazine

(5-nitro-6-thiomorpholin-4-yl-2-pyridinyl)hydrazine (PubChem CID 80932064) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is (5-nitro-6-thiomorpholin-4-yl-2-pyridinyl)hydrazine.

Molecular Properties

Compound Name(5-nitro-6-thiomorpholin-4-yl-2-pyridinyl)hydrazine
PubChem CID80932064
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC Name(5-nitro-6-thiomorpholin-4-yl-2-pyridinyl)hydrazine
SMILESNNc1ccc([N+](=O)[O-])c(N2CCSCC2)n1
InChIInChI=1S/C9H13N5O2S/c10-12-8-2-1-7(14(15)16)9(11-8)13-3-5-17-6-4-13/h1-2H,3-6,10H2,(H,11,12)
InChIKeyJCGYSENSILVQTI-UHFFFAOYSA-N
XLogP0.83
TPSA97.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

N-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine
CID 80765652
[6-(4,4-dimethylpiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80918944
[6-(4-methyl-1,4-diazepan-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80931680
[6-(4-ethyl-4-methylpiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80913752
[6-(4-ethoxypiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80898026
1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-3-ol
CID 80906785
[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-nitro-2-pyridinyl]hydrazine
CID 102729208
[6-(2,3-dihydroindol-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80911841
1-(6-hydrazinyl-3-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103198724
[5-nitro-6-(1,2,4-triazol-1-yl)-2-pyridinyl]hydrazine
CID 80902448
N-methyl-5-nitro-4-thiomorpholin-4-ylpyrimidin-2-amine
CID 114044107
1-(6-hydrazinyl-3-nitro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 80905319

Frequently Asked Questions

What is the IUPAC name of (5-nitro-6-thiomorpholin-4-yl-2-pyridinyl)hydrazine?
The IUPAC name of (5-nitro-6-thiomorpholin-4-yl-2-pyridinyl)hydrazine (CID 80932064) is (5-nitro-6-thiomorpholin-4-yl-2-pyridinyl)hydrazine.
What is the SMILES notation for (5-nitro-6-thiomorpholin-4-yl-2-pyridinyl)hydrazine?
The canonical SMILES for (5-nitro-6-thiomorpholin-4-yl-2-pyridinyl)hydrazine is NNc1ccc([N+](=O)[O-])c(N2CCSCC2)n1.
What is the InChIKey of (5-nitro-6-thiomorpholin-4-yl-2-pyridinyl)hydrazine?
The InChIKey is JCGYSENSILVQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c10-12-8-2-1-7(14(15)16)9(11-8)13-3-5-17-6-4-13/h1-2H,3-6,10H2,(H,11,12).
What are the key properties of (5-nitro-6-thiomorpholin-4-yl-2-pyridinyl)hydrazine?
(5-nitro-6-thiomorpholin-4-yl-2-pyridinyl)hydrazine has a molecular weight of 255.30 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitro-6-thiomorpholin-4-yl-2-pyridinyl)hydrazine is sourced from PubChem (CID 80932064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).