N'-hydroxy-5-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide

C9H15N5OS — CID 136863160

IUPACN'-hydroxy-5-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide
SMILESCSCCN(C)c1cnc(C(N)=NO)cn1
InChIInChI=1S/C9H15N5OS/c1-14(3-4-16-2)8-6-11-7(5-12-8)9(10)13-15/h5-6,15H,3-4H2,1-2H3,(H2,10,13)
InChIKeyUKCAHIFXUVSJJY-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.37
Rot. Bonds5

About N'-hydroxy-5-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide

N'-hydroxy-5-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide (PubChem CID 136863160) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is N'-hydroxy-5-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide
PubChem CID136863160
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC NameN'-hydroxy-5-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide
SMILESCSCCN(C)c1cnc(C(N)=NO)cn1
InChIInChI=1S/C9H15N5OS/c1-14(3-4-16-2)8-6-11-7(5-12-8)9(10)13-15/h5-6,15H,3-4H2,1-2H3,(H2,10,13)
InChIKeyUKCAHIFXUVSJJY-UHFFFAOYSA-N
XLogP0.37
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide
CID 112660005
N'-hydroxy-2-[methyl(2-methylsulfanylethyl)amino]-5-nitropyridine-3-carboximidamide
CID 103954983
3-bromo-N'-hydroxy-4-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide
CID 112660033
N'-hydroxy-5-methyl-2-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide
CID 114017229
4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112667653
N'-hydroxy-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide
CID 136990475
N'-hydroxy-5-[3-methoxypropyl(methyl)amino]pyridine-2-carboximidamide
CID 136990637
5-(aminomethyl)-N,6-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112665261
N'-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide
CID 136920625
N'-hydroxy-6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carboximidamide
CID 77073333
5-[5-hydroxypentyl(methyl)amino]pyrazine-2-carboximidamide
CID 107200173
N'-hydroxy-4-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide
CID 136952000

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide (CID 136863160) is N'-hydroxy-5-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide is CSCCN(C)c1cnc(C(N)=NO)cn1.
What is the InChIKey of N'-hydroxy-5-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide?
The InChIKey is UKCAHIFXUVSJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-14(3-4-16-2)8-6-11-7(5-12-8)9(10)13-15/h5-6,15H,3-4H2,1-2H3,(H2,10,13).
What are the key properties of N'-hydroxy-5-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide?
N'-hydroxy-5-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide has a molecular weight of 241.32 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide is sourced from PubChem (CID 136863160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).