N'-hydroxy-5-(oxolan-2-ylmethylsulfanyl)pyrazine-2-carboximidamide

C10H14N4O2S — CID 136955362

IUPACN'-hydroxy-5-(oxolan-2-ylmethylsulfanyl)pyrazine-2-carboximidamide
SMILESNC(=NO)c1cnc(SCC2CCCO2)cn1
InChIInChI=1S/C10H14N4O2S/c11-10(14-15)8-4-13-9(5-12-8)17-6-7-2-1-3-16-7/h4-5,7,15H,1-3,6H2,(H2,11,14)
InChIKeyMCABIEHBCWHQHZ-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.84
Rot. Bonds4

About N'-hydroxy-5-(oxolan-2-ylmethylsulfanyl)pyrazine-2-carboximidamide

N'-hydroxy-5-(oxolan-2-ylmethylsulfanyl)pyrazine-2-carboximidamide (PubChem CID 136955362) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is N'-hydroxy-5-(oxolan-2-ylmethylsulfanyl)pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(oxolan-2-ylmethylsulfanyl)pyrazine-2-carboximidamide
PubChem CID136955362
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC NameN'-hydroxy-5-(oxolan-2-ylmethylsulfanyl)pyrazine-2-carboximidamide
SMILESNC(=NO)c1cnc(SCC2CCCO2)cn1
InChIInChI=1S/C10H14N4O2S/c11-10(14-15)8-4-13-9(5-12-8)17-6-7-2-1-3-16-7/h4-5,7,15H,1-3,6H2,(H2,11,14)
InChIKeyMCABIEHBCWHQHZ-UHFFFAOYSA-N
XLogP0.84
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.84
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

6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine
CID 43301504
2-bromo-N'-hydroxy-4-(oxolan-2-ylmethylsulfanyl)benzenecarboximidamide
CID 107279902
6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 106497698
2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906523
3-[[(2R)-oxolan-2-yl]methylsulfanyl]pyrazin-2-amine
CID 130831521
5-(N'-hydroxycarbamimidoyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 77005035
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N'-hydroxypyrazine-2-carboximidamide
CID 137001413
5-bromo-6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine
CID 106494015
N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 77057898
2-methyl-N-[[2-(oxolan-2-ylmethylsulfanyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 106496585
5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole
CID 130639077
4-(oxolan-2-ylmethylsulfanyl)aniline
CID 43299447

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(oxolan-2-ylmethylsulfanyl)pyrazine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-(oxolan-2-ylmethylsulfanyl)pyrazine-2-carboximidamide (CID 136955362) is N'-hydroxy-5-(oxolan-2-ylmethylsulfanyl)pyrazine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-(oxolan-2-ylmethylsulfanyl)pyrazine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-(oxolan-2-ylmethylsulfanyl)pyrazine-2-carboximidamide is NC(=NO)c1cnc(SCC2CCCO2)cn1.
What is the InChIKey of N'-hydroxy-5-(oxolan-2-ylmethylsulfanyl)pyrazine-2-carboximidamide?
The InChIKey is MCABIEHBCWHQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c11-10(14-15)8-4-13-9(5-12-8)17-6-7-2-1-3-16-7/h4-5,7,15H,1-3,6H2,(H2,11,14).
What are the key properties of N'-hydroxy-5-(oxolan-2-ylmethylsulfanyl)pyrazine-2-carboximidamide?
N'-hydroxy-5-(oxolan-2-ylmethylsulfanyl)pyrazine-2-carboximidamide has a molecular weight of 254.31 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(oxolan-2-ylmethylsulfanyl)pyrazine-2-carboximidamide is sourced from PubChem (CID 136955362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).