[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-nitrophenyl]hydrazine

C10H12N6O2S — CID 107353512

IUPAC[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-nitrophenyl]hydrazine
SMILESCn1ncnc1SCc1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C10H12N6O2S/c1-15-10(12-6-13-15)19-5-7-3-2-4-8(16(17)18)9(7)14-11/h2-4,6,14H,5,11H2,1H3
InChIKeySFYIKSOOROPCEQ-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.30
Rot. Bonds5

About [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-nitrophenyl]hydrazine

[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-nitrophenyl]hydrazine (PubChem CID 107353512) has the molecular formula C10H12N6O2S and a molecular weight of 280.31 g/mol. Its IUPAC name is [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-nitrophenyl]hydrazine
PubChem CID107353512
Molecular FormulaC10H12N6O2S
Molecular Weight280.31 g/mol
Exact Mass280.07
IUPAC Name[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-nitrophenyl]hydrazine
SMILESCn1ncnc1SCc1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C10H12N6O2S/c1-15-10(12-6-13-15)19-5-7-3-2-4-8(16(17)18)9(7)14-11/h2-4,6,14H,5,11H2,1H3
InChIKeySFYIKSOOROPCEQ-UHFFFAOYSA-N
XLogP1.30
TPSA111.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.30
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

5-[(2-fluoro-6-nitrophenyl)methylsulfanyl]-1-methyl-1,2,4-triazole
CID 86790317
[2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-nitrophenyl]hydrazine
CID 107353493
N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-nitroaniline
CID 107352582
[2-[(2,5-dichlorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine
CID 107353432
[2-[(2,5-difluorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine
CID 107353455
[2-(bromomethyl)-6-nitrophenyl]hydrazine
CID 118855249
1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
CID 107353006
methyl 2-amino-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate
CID 104825835
3-[(2-hydrazinyl-3-nitrophenyl)methylsulfanyl]butan-1-ol
CID 107353498
[2-nitro-6-(phenoxymethyl)phenyl]hydrazine
CID 107353309
1-methyl-5-[(2-nitrophenyl)methylsulfanyl]tetrazole
CID 900999
1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 107353246

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-nitrophenyl]hydrazine?
The IUPAC name of [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-nitrophenyl]hydrazine (CID 107353512) is [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-nitrophenyl]hydrazine.
What is the SMILES notation for [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-nitrophenyl]hydrazine?
The canonical SMILES for [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-nitrophenyl]hydrazine is Cn1ncnc1SCc1cccc([N+](=O)[O-])c1NN.
What is the InChIKey of [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-nitrophenyl]hydrazine?
The InChIKey is SFYIKSOOROPCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2S/c1-15-10(12-6-13-15)19-5-7-3-2-4-8(16(17)18)9(7)14-11/h2-4,6,14H,5,11H2,1H3.
What are the key properties of [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-nitrophenyl]hydrazine?
[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-nitrophenyl]hydrazine has a molecular weight of 280.31 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-nitrophenyl]hydrazine is sourced from PubChem (CID 107353512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).