[5-(3-methylbutylsulfanylmethyl)pyrazin-2-yl]hydrazine

C10H18N4S — CID 107756789

IUPAC[5-(3-methylbutylsulfanylmethyl)pyrazin-2-yl]hydrazine
SMILESCC(C)CCSCc1cnc(NN)cn1
InChIInChI=1S/C10H18N4S/c1-8(2)3-4-15-7-9-5-13-10(14-11)6-12-9/h5-6,8H,3-4,7,11H2,1-2H3,(H,13,14)
InChIKeyPWMGATCGWDAYAF-UHFFFAOYSA-N
MW226.35 g/mol
LogP2.04
Rot. Bonds6

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

[5-(3-methylbutylsulfanylmethyl)pyrazin-2-yl]hydrazine (PubChem CID 107756789) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is [5-(3-methylbutylsulfanylmethyl)pyrazin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(3-methylbutylsulfanylmethyl)pyrazin-2-yl]hydrazine
PubChem CID107756789
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name[5-(3-methylbutylsulfanylmethyl)pyrazin-2-yl]hydrazine
SMILESCC(C)CCSCc1cnc(NN)cn1
InChIInChI=1S/C10H18N4S/c1-8(2)3-4-15-7-9-5-13-10(14-11)6-12-9/h5-6,8H,3-4,7,11H2,1-2H3,(H,13,14)
InChIKeyPWMGATCGWDAYAF-UHFFFAOYSA-N
XLogP2.04
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [5-(3-methylbutylsulfanylmethyl)pyrazin-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(2-methylpropylsulfanylmethyl)pyrazin-2-yl]hydrazine
CID 103062043
[5-(3-methoxypropylsulfanylmethyl)pyrazin-2-yl]hydrazine
CID 103062099
[5-(3-methylbutan-2-ylsulfanylmethyl)pyrazin-2-yl]hydrazine
CID 107756750
[5-[(3,5-dimethylphenyl)methylsulfanylmethyl]pyrazin-2-yl]hydrazine
CID 103062114
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine
CID 103060692
[5-(3-methylbutylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine
CID 107756782
5-bromo-2-(3-methylbutylsulfanylmethyl)pyridine
CID 103931443
[5-[(3-methylphenyl)methylsulfanylmethyl]pyrazin-2-yl]hydrazine
CID 103062082
tert-butyl 2-[(5-hydrazinylpyrazin-2-yl)methylsulfanyl]acetate
CID 103062127
(5-propylpyrazin-2-yl)hydrazine
CID 123407613
1-(5-hydrazinylpyrazin-2-yl)-N,N-dimethylmethanamine
CID 103060816
2-(3-methylbutylsulfanylmethyl)pyridin-4-amine
CID 107756692

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylbutylsulfanylmethyl)pyrazin-2-yl]hydrazine?
The IUPAC name of [5-(3-methylbutylsulfanylmethyl)pyrazin-2-yl]hydrazine (CID 107756789) is [5-(3-methylbutylsulfanylmethyl)pyrazin-2-yl]hydrazine.
What is the SMILES notation for [5-(3-methylbutylsulfanylmethyl)pyrazin-2-yl]hydrazine?
The canonical SMILES for [5-(3-methylbutylsulfanylmethyl)pyrazin-2-yl]hydrazine is CC(C)CCSCc1cnc(NN)cn1.
What is the InChIKey of [5-(3-methylbutylsulfanylmethyl)pyrazin-2-yl]hydrazine?
The InChIKey is PWMGATCGWDAYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-8(2)3-4-15-7-9-5-13-10(14-11)6-12-9/h5-6,8H,3-4,7,11H2,1-2H3,(H,13,14).
What are the key properties of [5-(3-methylbutylsulfanylmethyl)pyrazin-2-yl]hydrazine?
[5-(3-methylbutylsulfanylmethyl)pyrazin-2-yl]hydrazine has a molecular weight of 226.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylbutylsulfanylmethyl)pyrazin-2-yl]hydrazine is sourced from PubChem (CID 107756789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).