[5-[(3-methylphenyl)methylsulfanylmethyl]pyrazin-2-yl]hydrazine

C13H16N4S — CID 103062082

IUPAC[5-[(3-methylphenyl)methylsulfanylmethyl]pyrazin-2-yl]hydrazine
SMILESCc1cccc(CSCc2cnc(NN)cn2)c1
InChIInChI=1S/C13H16N4S/c1-10-3-2-4-11(5-10)8-18-9-12-6-16-13(17-14)7-15-12/h2-7H,8-9,14H2,1H3,(H,16,17)
InChIKeyQTBMIFHPNDSESL-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.50
Rot. Bonds5

About [5-[(3-methylphenyl)methylsulfanylmethyl]pyrazin-2-yl]hydrazine

[5-[(3-methylphenyl)methylsulfanylmethyl]pyrazin-2-yl]hydrazine (PubChem CID 103062082) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is [5-[(3-methylphenyl)methylsulfanylmethyl]pyrazin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(3-methylphenyl)methylsulfanylmethyl]pyrazin-2-yl]hydrazine
PubChem CID103062082
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name[5-[(3-methylphenyl)methylsulfanylmethyl]pyrazin-2-yl]hydrazine
SMILESCc1cccc(CSCc2cnc(NN)cn2)c1
InChIInChI=1S/C13H16N4S/c1-10-3-2-4-11(5-10)8-18-9-12-6-16-13(17-14)7-15-12/h2-7H,8-9,14H2,1H3,(H,16,17)
InChIKeyQTBMIFHPNDSESL-UHFFFAOYSA-N
XLogP2.50
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(3,5-dimethylphenyl)methylsulfanylmethyl]pyrazin-2-yl]hydrazine
CID 103062114
5-bromo-2-[(3-methylphenyl)methylsulfanylmethyl]pyridine
CID 104809988
5-[(3-methylphenyl)methylsulfanylmethyl]pyridin-2-amine
CID 62766078
[3-[(3-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine
CID 62764191
5-methyl-3-[(3-methylphenyl)methylsulfanylmethyl]-1,2-oxazole
CID 78848426
5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 63580705
[5-[(3-methoxyphenyl)sulfanylmethyl]pyrazin-2-yl]hydrazine
CID 103062018
2-chloro-5-[(3-methylphenyl)methylsulfanylmethyl]-1,3-thiazole
CID 79770670
[5-(naphthalen-2-ylsulfanylmethyl)pyrazin-2-yl]hydrazine
CID 103062053
trifluoro-[(3-methylphenyl)methylsulfanylmethyl]boranuide
CID 63703401
[5-(3-methylbutan-2-ylsulfanylmethyl)pyrazin-2-yl]hydrazine
CID 107756750
2,2-dimethyl-3-[(3-methylphenyl)methylsulfanyl]propanehydrazide
CID 79631000

Frequently Asked Questions

What is the IUPAC name of [5-[(3-methylphenyl)methylsulfanylmethyl]pyrazin-2-yl]hydrazine?
The IUPAC name of [5-[(3-methylphenyl)methylsulfanylmethyl]pyrazin-2-yl]hydrazine (CID 103062082) is [5-[(3-methylphenyl)methylsulfanylmethyl]pyrazin-2-yl]hydrazine.
What is the SMILES notation for [5-[(3-methylphenyl)methylsulfanylmethyl]pyrazin-2-yl]hydrazine?
The canonical SMILES for [5-[(3-methylphenyl)methylsulfanylmethyl]pyrazin-2-yl]hydrazine is Cc1cccc(CSCc2cnc(NN)cn2)c1.
What is the InChIKey of [5-[(3-methylphenyl)methylsulfanylmethyl]pyrazin-2-yl]hydrazine?
The InChIKey is QTBMIFHPNDSESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-10-3-2-4-11(5-10)8-18-9-12-6-16-13(17-14)7-15-12/h2-7H,8-9,14H2,1H3,(H,16,17).
What are the key properties of [5-[(3-methylphenyl)methylsulfanylmethyl]pyrazin-2-yl]hydrazine?
[5-[(3-methylphenyl)methylsulfanylmethyl]pyrazin-2-yl]hydrazine has a molecular weight of 260.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-methylphenyl)methylsulfanylmethyl]pyrazin-2-yl]hydrazine is sourced from PubChem (CID 103062082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).