(5-nitro-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine

C9H8N6O2S — CID 80926659

IUPAC(5-nitro-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
SMILESNNc1ncnc(Sc2ccncc2)c1[N+](=O)[O-]
InChIInChI=1S/C9H8N6O2S/c10-14-8-7(15(16)17)9(13-5-12-8)18-6-1-3-11-4-2-6/h1-5H,10H2,(H,12,13,14)
InChIKeyKZNLVZFCBFEJKA-UHFFFAOYSA-N
MW264.27 g/mol
LogP1.22
Rot. Bonds4

About (5-nitro-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine

(5-nitro-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine (PubChem CID 80926659) has the molecular formula C9H8N6O2S and a molecular weight of 264.27 g/mol. Its IUPAC name is (5-nitro-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(5-nitro-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
PubChem CID80926659
Molecular FormulaC9H8N6O2S
Molecular Weight264.27 g/mol
Exact Mass264.04
IUPAC Name(5-nitro-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
SMILESNNc1ncnc(Sc2ccncc2)c1[N+](=O)[O-]
InChIInChI=1S/C9H8N6O2S/c10-14-8-7(15(16)17)9(13-5-12-8)18-6-1-3-11-4-2-6/h1-5H,10H2,(H,12,13,14)
InChIKeyKZNLVZFCBFEJKA-UHFFFAOYSA-N
XLogP1.22
TPSA119.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 51.22
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'}

Analyze (5-nitro-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-bromo-6-(4-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 114073888
[6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyrimidin-4-yl]hydrazine
CID 80929075
3-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 80930259
1,1-dimethyl-2-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)hydrazine
CID 22528107
[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-nitropyrimidin-4-yl]hydrazine
CID 106928878
5-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80931340
N-tert-butyl-6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-amine
CID 23478660
6-(4-methylphenyl)sulfanyl-5-nitro-N-propylpyrimidin-4-amine
CID 23487363
6-(4-chlorophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)-5-nitropyrimidin-4-amine
CID 23488638
[6-(furan-2-ylmethylsulfanyl)-5-nitropyrimidin-4-yl]hydrazine
CID 80924591
1-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]-2-phenylhydrazine
CID 22526673
N-methyl-6-(3-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine
CID 80885957

Frequently Asked Questions

What is the IUPAC name of (5-nitro-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine?
The IUPAC name of (5-nitro-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine (CID 80926659) is (5-nitro-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (5-nitro-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (5-nitro-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine is NNc1ncnc(Sc2ccncc2)c1[N+](=O)[O-].
What is the InChIKey of (5-nitro-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine?
The InChIKey is KZNLVZFCBFEJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O2S/c10-14-8-7(15(16)17)9(13-5-12-8)18-6-1-3-11-4-2-6/h1-5H,10H2,(H,12,13,14).
What are the key properties of (5-nitro-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine?
(5-nitro-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine has a molecular weight of 264.27 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitro-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 80926659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).