S-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enyl]thiohydroxylamine

C9H10N4S — CID 173067268

IUPACS-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enyl]thiohydroxylamine
SMILESNSCC=Cc1cnc2[nH]ccc2n1
InChIInChI=1S/C9H10N4S/c10-14-5-1-2-7-6-12-9-8(13-7)3-4-11-9/h1-4,6H,5,10H2,(H,11,12)
InChIKeyXKPMWZBZDUNOSX-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.58
Rot. Bonds3

About S-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enyl]thiohydroxylamine

S-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enyl]thiohydroxylamine (PubChem CID 173067268) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is S-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enyl]thiohydroxylamine
PubChem CID173067268
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC NameS-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enyl]thiohydroxylamine
SMILESNSCC=Cc1cnc2[nH]ccc2n1
InChIInChI=1S/C9H10N4S/c10-14-5-1-2-7-6-12-9-8(13-7)3-4-11-9/h1-4,6H,5,10H2,(H,11,12)
InChIKeyXKPMWZBZDUNOSX-UHFFFAOYSA-N
XLogP1.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze S-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enyl]thiohydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-en-1-amine
CID 169473750
5H-pyrrolo[2,3-b]pyrazin-2-ylmethanamine
CID 67361463
4-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethylidene)thiane 1,1-dioxide
CID 155961065
N-(5H-pyrrolo[2,3-b]pyrazin-2-yl)formamide
CID 87377333
2-(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 150329888
2-(1H-pyrrolo[2,3-c]pyridin-7-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 174839390
5H-pyrrolo[2,3-b]pyrazin-2-ylurea
CID 67385138
3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-ol
CID 169453432
2-(6-methyl-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine
CID 141293376
3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yn-1-ol
CID 169485147
3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yne-1-thiol
CID 169486707
N-tert-butyl-5H-pyrrolo[2,3-b]pyrazin-2-amine
CID 162470615

Frequently Asked Questions

What is the IUPAC name of S-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enyl]thiohydroxylamine?
The IUPAC name of S-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enyl]thiohydroxylamine (CID 173067268) is S-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enyl]thiohydroxylamine.
What is the SMILES notation for S-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enyl]thiohydroxylamine?
The canonical SMILES for S-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enyl]thiohydroxylamine is NSCC=Cc1cnc2[nH]ccc2n1.
What is the InChIKey of S-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enyl]thiohydroxylamine?
The InChIKey is XKPMWZBZDUNOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c10-14-5-1-2-7-6-12-9-8(13-7)3-4-11-9/h1-4,6H,5,10H2,(H,11,12).
What are the key properties of S-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enyl]thiohydroxylamine?
S-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enyl]thiohydroxylamine has a molecular weight of 206.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enyl]thiohydroxylamine is sourced from PubChem (CID 173067268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).