N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methyl-2-methylsulfanylethanamine

C9H17N5S — CID 103061186

IUPACN-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methyl-2-methylsulfanylethanamine
SMILESCSCCN(C)Cc1cnc(NN)cn1
InChIInChI=1S/C9H17N5S/c1-14(3-4-15-2)7-8-5-12-9(13-10)6-11-8/h5-6H,3-4,7,10H2,1-2H3,(H,12,13)
InChIKeyUBNLWAPUOLHZJA-UHFFFAOYSA-N
MW227.34 g/mol
LogP0.56
Rot. Bonds6

About N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methyl-2-methylsulfanylethanamine

N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methyl-2-methylsulfanylethanamine (PubChem CID 103061186) has the molecular formula C9H17N5S and a molecular weight of 227.34 g/mol. Its IUPAC name is N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methyl-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methyl-2-methylsulfanylethanamine
PubChem CID103061186
Molecular FormulaC9H17N5S
Molecular Weight227.34 g/mol
Exact Mass227.12
IUPAC NameN-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methyl-2-methylsulfanylethanamine
SMILESCSCCN(C)Cc1cnc(NN)cn1
InChIInChI=1S/C9H17N5S/c1-14(3-4-15-2)7-8-5-12-9(13-10)6-11-8/h5-6H,3-4,7,10H2,1-2H3,(H,12,13)
InChIKeyUBNLWAPUOLHZJA-UHFFFAOYSA-N
XLogP0.56
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 50.56
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

N-ethyl-5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyrazin-2-amine
CID 103056804
N'-[(5-hydrazinylpyrazin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 103061005
5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyrazin-2-amine
CID 103056806
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine
CID 103060692
1-(5-hydrazinylpyrazin-2-yl)-N,N-dimethylmethanamine
CID 103060816
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylbutan-2-amine
CID 103060886
1-(5-hydrazinylpyrazin-2-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 103060502
1-(4-bromophenyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylmethanamine
CID 103060724
2-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]-N-propylacetamide
CID 103060576
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylcyclopropanamine
CID 103060869
2-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylaniline
CID 103060603
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N,1-dimethylpiperidin-4-amine
CID 103060809

Frequently Asked Questions

What is the IUPAC name of N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methyl-2-methylsulfanylethanamine?
The IUPAC name of N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methyl-2-methylsulfanylethanamine (CID 103061186) is N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methyl-2-methylsulfanylethanamine.
What is the SMILES notation for N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methyl-2-methylsulfanylethanamine?
The canonical SMILES for N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methyl-2-methylsulfanylethanamine is CSCCN(C)Cc1cnc(NN)cn1.
What is the InChIKey of N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methyl-2-methylsulfanylethanamine?
The InChIKey is UBNLWAPUOLHZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5S/c1-14(3-4-15-2)7-8-5-12-9(13-10)6-11-8/h5-6H,3-4,7,10H2,1-2H3,(H,12,13).
What are the key properties of N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methyl-2-methylsulfanylethanamine?
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methyl-2-methylsulfanylethanamine has a molecular weight of 227.34 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methyl-2-methylsulfanylethanamine is sourced from PubChem (CID 103061186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).