[4-nitro-2-(pyrimidin-2-ylsulfanylmethyl)phenyl]hydrazine

C11H11N5O2S — CID 55050904

IUPAC[4-nitro-2-(pyrimidin-2-ylsulfanylmethyl)phenyl]hydrazine
SMILESNNc1ccc([N+](=O)[O-])cc1CSc1ncccn1
InChIInChI=1S/C11H11N5O2S/c12-15-10-3-2-9(16(17)18)6-8(10)7-19-11-13-4-1-5-14-11/h1-6,15H,7,12H2
InChIKeyNJINXDIBLKCSGW-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.96
Rot. Bonds5

About [4-nitro-2-(pyrimidin-2-ylsulfanylmethyl)phenyl]hydrazine

[4-nitro-2-(pyrimidin-2-ylsulfanylmethyl)phenyl]hydrazine (PubChem CID 55050904) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is [4-nitro-2-(pyrimidin-2-ylsulfanylmethyl)phenyl]hydrazine.

Molecular Properties

Compound Name[4-nitro-2-(pyrimidin-2-ylsulfanylmethyl)phenyl]hydrazine
PubChem CID55050904
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC Name[4-nitro-2-(pyrimidin-2-ylsulfanylmethyl)phenyl]hydrazine
SMILESNNc1ccc([N+](=O)[O-])cc1CSc1ncccn1
InChIInChI=1S/C11H11N5O2S/c12-15-10-3-2-9(16(17)18)6-8(10)7-19-11-13-4-1-5-14-11/h1-6,15H,7,12H2
InChIKeyNJINXDIBLKCSGW-UHFFFAOYSA-N
XLogP1.96
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.96
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

2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]pyrimidine-4,6-diamine
CID 62251379
[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine
CID 62245269
[2-[(2,4-difluorophenyl)sulfanylmethyl]-4-nitrophenyl]hydrazine
CID 62250634
[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine
CID 63482048
2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]ethanol
CID 62252511
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-nitroaniline
CID 62267523
2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]-N,N-dimethylacetamide
CID 114234608
N-(2-chloro-4-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 3442434
[2-[(2-ethylimidazol-1-yl)methyl]-4-nitrophenyl]hydrazine
CID 62244833
N-ethyl-2-(1H-imidazol-2-ylsulfanylmethyl)-4-nitroaniline
CID 107782257
2-[(2-chloro-5-nitrophenyl)methylsulfanyl]-4-methylpyrimidine
CID 62267130
benzene;(2,4-dinitrophenyl)hydrazine
CID 159646359

Frequently Asked Questions

What is the IUPAC name of [4-nitro-2-(pyrimidin-2-ylsulfanylmethyl)phenyl]hydrazine?
The IUPAC name of [4-nitro-2-(pyrimidin-2-ylsulfanylmethyl)phenyl]hydrazine (CID 55050904) is [4-nitro-2-(pyrimidin-2-ylsulfanylmethyl)phenyl]hydrazine.
What is the SMILES notation for [4-nitro-2-(pyrimidin-2-ylsulfanylmethyl)phenyl]hydrazine?
The canonical SMILES for [4-nitro-2-(pyrimidin-2-ylsulfanylmethyl)phenyl]hydrazine is NNc1ccc([N+](=O)[O-])cc1CSc1ncccn1.
What is the InChIKey of [4-nitro-2-(pyrimidin-2-ylsulfanylmethyl)phenyl]hydrazine?
The InChIKey is NJINXDIBLKCSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c12-15-10-3-2-9(16(17)18)6-8(10)7-19-11-13-4-1-5-14-11/h1-6,15H,7,12H2.
What are the key properties of [4-nitro-2-(pyrimidin-2-ylsulfanylmethyl)phenyl]hydrazine?
[4-nitro-2-(pyrimidin-2-ylsulfanylmethyl)phenyl]hydrazine has a molecular weight of 277.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-nitro-2-(pyrimidin-2-ylsulfanylmethyl)phenyl]hydrazine is sourced from PubChem (CID 55050904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).