3-[2-[(6-hydrazinylpyrazin-2-yl)amino]ethylsulfanyl]propan-1-ol

C9H17N5OS — CID 106311883

IUPAC3-[2-[(6-hydrazinylpyrazin-2-yl)amino]ethylsulfanyl]propan-1-ol
SMILESNNc1cncc(NCCSCCCO)n1
InChIInChI=1S/C9H17N5OS/c10-14-9-7-11-6-8(13-9)12-2-5-16-4-1-3-15/h6-7,15H,1-5,10H2,(H2,12,13,14)
InChIKeyMOZUDPOWUBUQTL-UHFFFAOYSA-N
MW243.34 g/mol
LogP0.29
Rot. Bonds8

About 3-[2-[(6-hydrazinylpyrazin-2-yl)amino]ethylsulfanyl]propan-1-ol

3-[2-[(6-hydrazinylpyrazin-2-yl)amino]ethylsulfanyl]propan-1-ol (PubChem CID 106311883) has the molecular formula C9H17N5OS and a molecular weight of 243.34 g/mol. Its IUPAC name is 3-[2-[(6-hydrazinylpyrazin-2-yl)amino]ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(6-hydrazinylpyrazin-2-yl)amino]ethylsulfanyl]propan-1-ol
PubChem CID106311883
Molecular FormulaC9H17N5OS
Molecular Weight243.34 g/mol
Exact Mass243.12
IUPAC Name3-[2-[(6-hydrazinylpyrazin-2-yl)amino]ethylsulfanyl]propan-1-ol
SMILESNNc1cncc(NCCSCCCO)n1
InChIInChI=1S/C9H17N5OS/c10-14-9-7-11-6-8(13-9)12-2-5-16-4-1-3-15/h6-7,15H,1-5,10H2,(H2,12,13,14)
InChIKeyMOZUDPOWUBUQTL-UHFFFAOYSA-N
XLogP0.29
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[2-[(6-hydrazinylpyrazin-2-yl)amino]ethylsulfanyl]propan-1-ol with MolForge

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Related Compounds

3-[2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311903
3-[2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311885
3-[2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311792
3-[2-[(6-fluoro-2-pyridinyl)amino]ethylsulfanyl]propan-1-ol
CID 103702970
4-[(6-hydrazinyl-2-pyridinyl)amino]butan-1-ol
CID 106847100
3-[2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311324
N-(3-ethoxypropyl)-6-hydrazinylpyrazin-2-amine
CID 80942888
3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
CID 80890920
3-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311801
3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]propan-1-ol
CID 79232930
3-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311745
6-hydrazinyl-N-(3-phenoxypropyl)pyrazin-2-amine
CID 80918884

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(6-hydrazinylpyrazin-2-yl)amino]ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-[(6-hydrazinylpyrazin-2-yl)amino]ethylsulfanyl]propan-1-ol (CID 106311883) is 3-[2-[(6-hydrazinylpyrazin-2-yl)amino]ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-[(6-hydrazinylpyrazin-2-yl)amino]ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-[(6-hydrazinylpyrazin-2-yl)amino]ethylsulfanyl]propan-1-ol is NNc1cncc(NCCSCCCO)n1.
What is the InChIKey of 3-[2-[(6-hydrazinylpyrazin-2-yl)amino]ethylsulfanyl]propan-1-ol?
The InChIKey is MOZUDPOWUBUQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5OS/c10-14-9-7-11-6-8(13-9)12-2-5-16-4-1-3-15/h6-7,15H,1-5,10H2,(H2,12,13,14).
What are the key properties of 3-[2-[(6-hydrazinylpyrazin-2-yl)amino]ethylsulfanyl]propan-1-ol?
3-[2-[(6-hydrazinylpyrazin-2-yl)amino]ethylsulfanyl]propan-1-ol has a molecular weight of 243.34 g/mol, XLogP of 0.29, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(6-hydrazinylpyrazin-2-yl)amino]ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 106311883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).