[5-[(4-methylsulfanylphenoxy)methyl]pyrazin-2-yl]hydrazine

C12H14N4OS — CID 103061930

IUPAC[5-[(4-methylsulfanylphenoxy)methyl]pyrazin-2-yl]hydrazine
SMILESCSc1ccc(OCc2cnc(NN)cn2)cc1
InChIInChI=1S/C12H14N4OS/c1-18-11-4-2-10(3-5-11)17-8-9-6-15-12(16-13)7-14-9/h2-7H,8,13H2,1H3,(H,15,16)
InChIKeyITFQYMJCQQVEPV-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.06
Rot. Bonds5

About [5-[(4-methylsulfanylphenoxy)methyl]pyrazin-2-yl]hydrazine

[5-[(4-methylsulfanylphenoxy)methyl]pyrazin-2-yl]hydrazine (PubChem CID 103061930) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is [5-[(4-methylsulfanylphenoxy)methyl]pyrazin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(4-methylsulfanylphenoxy)methyl]pyrazin-2-yl]hydrazine
PubChem CID103061930
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name[5-[(4-methylsulfanylphenoxy)methyl]pyrazin-2-yl]hydrazine
SMILESCSc1ccc(OCc2cnc(NN)cn2)cc1
InChIInChI=1S/C12H14N4OS/c1-18-11-4-2-10(3-5-11)17-8-9-6-15-12(16-13)7-14-9/h2-7H,8,13H2,1H3,(H,15,16)
InChIKeyITFQYMJCQQVEPV-UHFFFAOYSA-N
XLogP2.06
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 63648050
2-[4-[(5-hydrazinylpyrazin-2-yl)methoxy]phenyl]acetonitrile
CID 103061807
[5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061736
[5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061987
[5-[(2-fluoro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 107660720
[4-[(4-methylsulfanylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 63648232
[5-[(2-bromophenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061839
[5-(phenylmethoxymethyl)pyrazin-2-yl]hydrazine
CID 103061763
N-methyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine
CID 79260240
[5-(naphthalen-2-ylsulfanylmethyl)pyrazin-2-yl]hydrazine
CID 103062053
1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene
CID 70368066
(5-propylpyrazin-2-yl)hydrazine
CID 123407613

Frequently Asked Questions

What is the IUPAC name of [5-[(4-methylsulfanylphenoxy)methyl]pyrazin-2-yl]hydrazine?
The IUPAC name of [5-[(4-methylsulfanylphenoxy)methyl]pyrazin-2-yl]hydrazine (CID 103061930) is [5-[(4-methylsulfanylphenoxy)methyl]pyrazin-2-yl]hydrazine.
What is the SMILES notation for [5-[(4-methylsulfanylphenoxy)methyl]pyrazin-2-yl]hydrazine?
The canonical SMILES for [5-[(4-methylsulfanylphenoxy)methyl]pyrazin-2-yl]hydrazine is CSc1ccc(OCc2cnc(NN)cn2)cc1.
What is the InChIKey of [5-[(4-methylsulfanylphenoxy)methyl]pyrazin-2-yl]hydrazine?
The InChIKey is ITFQYMJCQQVEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-18-11-4-2-10(3-5-11)17-8-9-6-15-12(16-13)7-14-9/h2-7H,8,13H2,1H3,(H,15,16).
What are the key properties of [5-[(4-methylsulfanylphenoxy)methyl]pyrazin-2-yl]hydrazine?
[5-[(4-methylsulfanylphenoxy)methyl]pyrazin-2-yl]hydrazine has a molecular weight of 262.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methylsulfanylphenoxy)methyl]pyrazin-2-yl]hydrazine is sourced from PubChem (CID 103061930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).