[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine

C10H11N5O3S — CID 62245269

IUPAC[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine
SMILESCc1nnc(SCc2cc([N+](=O)[O-])ccc2NN)o1
InChIInChI=1S/C10H11N5O3S/c1-6-13-14-10(18-6)19-5-7-4-8(15(16)17)2-3-9(7)12-11/h2-4,12H,5,11H2,1H3
InChIKeyMIPUHLJMTBFQMD-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.86
Rot. Bonds5

About [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine

[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine (PubChem CID 62245269) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine
PubChem CID62245269
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC Name[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine
SMILESCc1nnc(SCc2cc([N+](=O)[O-])ccc2NN)o1
InChIInChI=1S/C10H11N5O3S/c1-6-13-14-10(18-6)19-5-7-4-8(15(16)17)2-3-9(7)12-11/h2-4,12H,5,11H2,1H3
InChIKeyMIPUHLJMTBFQMD-UHFFFAOYSA-N
XLogP1.86
TPSA120.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.86
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'}

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Related Compounds

[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine
CID 63482048
2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]pyrimidine-4,6-diamine
CID 62251379
[4-nitro-2-(pyrimidin-2-ylsulfanylmethyl)phenyl]hydrazine
CID 55050904
N-(2-bromo-4-nitrophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 21215154
[2-[(2,4-difluorophenyl)sulfanylmethyl]-4-nitrophenyl]hydrazine
CID 62250634
2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]ethanol
CID 62252511
2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]-N,N-dimethylacetamide
CID 114234608
2-methyl-5-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 9344987
3-[(2-hydrazinyl-5-nitrophenyl)methyl]-2,6-dimethylpyrimidin-4-one
CID 63770628
4-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzohydrazide
CID 107459054
(2-methyl-5-nitrophenyl)hydrazine
CID 3918674
N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitrobenzenecarboximidamide
CID 76937844

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine?
The IUPAC name of [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine (CID 62245269) is [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine.
What is the SMILES notation for [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine?
The canonical SMILES for [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine is Cc1nnc(SCc2cc([N+](=O)[O-])ccc2NN)o1.
What is the InChIKey of [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine?
The InChIKey is MIPUHLJMTBFQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c1-6-13-14-10(18-6)19-5-7-4-8(15(16)17)2-3-9(7)12-11/h2-4,12H,5,11H2,1H3.
What are the key properties of [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine?
[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine has a molecular weight of 281.30 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine is sourced from PubChem (CID 62245269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).