3-[2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethylsulfanyl]propan-1-ol

C10H15N5OS — CID 103710809

IUPAC3-[2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethylsulfanyl]propan-1-ol
SMILESOCCCSCCNc1nccn2cnnc12
InChIInChI=1S/C10H15N5OS/c16-5-1-6-17-7-3-12-9-10-14-13-8-15(10)4-2-11-9/h2,4,8,16H,1,3,5-7H2,(H,11,12)
InChIKeyHTNGVCSOZIIXQM-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.65
Rot. Bonds7

About 3-[2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethylsulfanyl]propan-1-ol

3-[2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethylsulfanyl]propan-1-ol (PubChem CID 103710809) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-[2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethylsulfanyl]propan-1-ol
PubChem CID103710809
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name3-[2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethylsulfanyl]propan-1-ol
SMILESOCCCSCCNc1nccn2cnnc12
InChIInChI=1S/C10H15N5OS/c16-5-1-6-17-7-3-12-9-10-14-13-8-15(10)4-2-11-9/h2,4,8,16H,1,3,5-7H2,(H,11,12)
InChIKeyHTNGVCSOZIIXQM-UHFFFAOYSA-N
XLogP0.65
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethylsulfanyl]propan-1-ol (CID 103710809) is 3-[2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethylsulfanyl]propan-1-ol is OCCCSCCNc1nccn2cnnc12.
What is the InChIKey of 3-[2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethylsulfanyl]propan-1-ol?
The InChIKey is HTNGVCSOZIIXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c16-5-1-6-17-7-3-12-9-10-14-13-8-15(10)4-2-11-9/h2,4,8,16H,1,3,5-7H2,(H,11,12).
What are the key properties of 3-[2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethylsulfanyl]propan-1-ol?
3-[2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethylsulfanyl]propan-1-ol has a molecular weight of 253.33 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 103710809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).