N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)benzenecarboximidamide

C12H12N4OS — CID 76995892

IUPACN'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)benzenecarboximidamide
SMILESNC(=NO)c1ccccc1CSc1cnccn1
InChIInChI=1S/C12H12N4OS/c13-12(16-17)10-4-2-1-3-9(10)8-18-11-7-14-5-6-15-11/h1-7,17H,8H2,(H2,13,16)
InChIKeyNYFMQNVUEYYMDS-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.86
Rot. Bonds4

About N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)benzenecarboximidamide

N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)benzenecarboximidamide (PubChem CID 76995892) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)benzenecarboximidamide
PubChem CID76995892
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC NameN'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)benzenecarboximidamide
SMILESNC(=NO)c1ccccc1CSc1cnccn1
InChIInChI=1S/C12H12N4OS/c13-12(16-17)10-4-2-1-3-9(10)8-18-11-7-14-5-6-15-11/h1-7,17H,8H2,(H2,13,16)
InChIKeyNYFMQNVUEYYMDS-UHFFFAOYSA-N
XLogP1.86
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)benzenecarboximidamide (CID 76995892) is N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)benzenecarboximidamide is NC(=NO)c1ccccc1CSc1cnccn1.
What is the InChIKey of N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)benzenecarboximidamide?
The InChIKey is NYFMQNVUEYYMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c13-12(16-17)10-4-2-1-3-9(10)8-18-11-7-14-5-6-15-11/h1-7,17H,8H2,(H2,13,16).
What are the key properties of N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)benzenecarboximidamide?
N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)benzenecarboximidamide has a molecular weight of 260.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)benzenecarboximidamide is sourced from PubChem (CID 76995892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).