(3-nitro-5-pyrazin-2-ylsulfanylphenyl)hydrazine

C10H9N5O2S — CID 80928961

IUPAC(3-nitro-5-pyrazin-2-ylsulfanylphenyl)hydrazine
SMILESNNc1cc(Sc2cnccn2)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H9N5O2S/c11-14-7-3-8(15(16)17)5-9(4-7)18-10-6-12-1-2-13-10/h1-6,14H,11H2
InChIKeyCVBZMKGNQVJVMV-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.82
Rot. Bonds4

About (3-nitro-5-pyrazin-2-ylsulfanylphenyl)hydrazine

(3-nitro-5-pyrazin-2-ylsulfanylphenyl)hydrazine (PubChem CID 80928961) has the molecular formula C10H9N5O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is (3-nitro-5-pyrazin-2-ylsulfanylphenyl)hydrazine.

Molecular Properties

Compound Name(3-nitro-5-pyrazin-2-ylsulfanylphenyl)hydrazine
PubChem CID80928961
Molecular FormulaC10H9N5O2S
Molecular Weight263.28 g/mol
Exact Mass263.05
IUPAC Name(3-nitro-5-pyrazin-2-ylsulfanylphenyl)hydrazine
SMILESNNc1cc(Sc2cnccn2)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H9N5O2S/c11-14-7-3-8(15(16)17)5-9(4-7)18-10-6-12-1-2-13-10/h1-6,14H,11H2
InChIKeyCVBZMKGNQVJVMV-UHFFFAOYSA-N
XLogP1.82
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.82
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

[3-nitro-5-(7H-purin-6-ylsulfanyl)phenyl]hydrazine
CID 80925091
[3-nitro-5-(trifluoromethylsulfanyl)phenyl]hydrazine
CID 166641635
2-(3-hydrazinyl-5-nitrophenyl)sulfanylethanol
CID 80921240
[3-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-nitrophenyl]hydrazine
CID 80920032
5-nitro-2-pyrazin-2-ylsulfanylbenzaldehyde
CID 63802571
(3-butan-2-ylsulfanyl-5-nitrophenyl)hydrazine
CID 80924770
4-methyl-N-(3-nitro-5-pyridin-2-ylsulfanylphenyl)benzenesulfonamide
CID 169371446
methyl 2-(3-hydrazinyl-5-nitrophenyl)sulfanylacetate
CID 80922757
methyl 2-fluoro-4-nitro-5-pyrazin-2-ylsulfanylbenzoate
CID 104700224
3-hydrazinyl-5-nitro-N-(pyridin-4-ylmethyl)aniline
CID 80943435
2-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]pyrazine
CID 63380617
3-fluoro-5-pyrazin-2-ylsulfanylaniline
CID 63380979

Frequently Asked Questions

What is the IUPAC name of (3-nitro-5-pyrazin-2-ylsulfanylphenyl)hydrazine?
The IUPAC name of (3-nitro-5-pyrazin-2-ylsulfanylphenyl)hydrazine (CID 80928961) is (3-nitro-5-pyrazin-2-ylsulfanylphenyl)hydrazine.
What is the SMILES notation for (3-nitro-5-pyrazin-2-ylsulfanylphenyl)hydrazine?
The canonical SMILES for (3-nitro-5-pyrazin-2-ylsulfanylphenyl)hydrazine is NNc1cc(Sc2cnccn2)cc([N+](=O)[O-])c1.
What is the InChIKey of (3-nitro-5-pyrazin-2-ylsulfanylphenyl)hydrazine?
The InChIKey is CVBZMKGNQVJVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2S/c11-14-7-3-8(15(16)17)5-9(4-7)18-10-6-12-1-2-13-10/h1-6,14H,11H2.
What are the key properties of (3-nitro-5-pyrazin-2-ylsulfanylphenyl)hydrazine?
(3-nitro-5-pyrazin-2-ylsulfanylphenyl)hydrazine has a molecular weight of 263.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nitro-5-pyrazin-2-ylsulfanylphenyl)hydrazine is sourced from PubChem (CID 80928961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).