N-[2-(5-methylpyrazin-2-yl)ethyl]thiohydroxylamine

C7H11N3S — CID 142359607

IUPACN-[2-(5-methylpyrazin-2-yl)ethyl]thiohydroxylamine
SMILESCc1cnc(CCNS)cn1
InChIInChI=1S/C7H11N3S/c1-6-4-9-7(5-8-6)2-3-10-11/h4-5,10-11H,2-3H2,1H3
InChIKeyYNOAJKNCPPJUFI-UHFFFAOYSA-N
MW169.25 g/mol
LogP0.76
Rot. Bonds3

About N-[2-(5-methylpyrazin-2-yl)ethyl]thiohydroxylamine

N-[2-(5-methylpyrazin-2-yl)ethyl]thiohydroxylamine (PubChem CID 142359607) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is N-[2-(5-methylpyrazin-2-yl)ethyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[2-(5-methylpyrazin-2-yl)ethyl]thiohydroxylamine
PubChem CID142359607
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC NameN-[2-(5-methylpyrazin-2-yl)ethyl]thiohydroxylamine
SMILESCc1cnc(CCNS)cn1
InChIInChI=1S/C7H11N3S/c1-6-4-9-7(5-8-6)2-3-10-11/h4-5,10-11H,2-3H2,1H3
InChIKeyYNOAJKNCPPJUFI-UHFFFAOYSA-N
XLogP0.76
TPSA37.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(5-methylpyrazin-2-yl)methanethiol
CID 90983468
2-butyl-5-methylpyrazine
CID 6428803
2-(2-chloroethyl)-5-methylpyrazine;hydrochloride
CID 75480801
(5-methylpyrazin-2-yl)methanamine
CID 2756496
2-(iodomethyl)-5-methylpyrazine
CID 118184663
ethane;(5-methylpyrazin-2-yl)methanamine
CID 143579527
3-(5-methylpyrazin-2-yl)propanoic acid
CID 82414330
2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 80695023
N-[2-(5-methylpyrazin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine;hydrobromide
CID 126835658
trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium
CID 14170090
2,5-dimethylpyrazine;hydrochloride
CID 160725136
2,5-dimethylpyrazine;ethane
CID 143125119

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylpyrazin-2-yl)ethyl]thiohydroxylamine?
The IUPAC name of N-[2-(5-methylpyrazin-2-yl)ethyl]thiohydroxylamine (CID 142359607) is N-[2-(5-methylpyrazin-2-yl)ethyl]thiohydroxylamine.
What is the SMILES notation for N-[2-(5-methylpyrazin-2-yl)ethyl]thiohydroxylamine?
The canonical SMILES for N-[2-(5-methylpyrazin-2-yl)ethyl]thiohydroxylamine is Cc1cnc(CCNS)cn1.
What is the InChIKey of N-[2-(5-methylpyrazin-2-yl)ethyl]thiohydroxylamine?
The InChIKey is YNOAJKNCPPJUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-6-4-9-7(5-8-6)2-3-10-11/h4-5,10-11H,2-3H2,1H3.
What are the key properties of N-[2-(5-methylpyrazin-2-yl)ethyl]thiohydroxylamine?
N-[2-(5-methylpyrazin-2-yl)ethyl]thiohydroxylamine has a molecular weight of 169.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylpyrazin-2-yl)ethyl]thiohydroxylamine is sourced from PubChem (CID 142359607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).