3-[2-(pyrazolo[1,5-a]pyrazin-4-ylamino)ethylsulfanyl]propan-1-ol

C11H16N4OS — CID 106307415

IUPAC3-[2-(pyrazolo[1,5-a]pyrazin-4-ylamino)ethylsulfanyl]propan-1-ol
SMILESOCCCSCCNc1nccn2nccc12
InChIInChI=1S/C11H16N4OS/c16-7-1-8-17-9-5-13-11-10-2-3-14-15(10)6-4-12-11/h2-4,6,16H,1,5,7-9H2,(H,12,13)
InChIKeyBGAXBIRGDZYUKO-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.26
Rot. Bonds7

About 3-[2-(pyrazolo[1,5-a]pyrazin-4-ylamino)ethylsulfanyl]propan-1-ol

3-[2-(pyrazolo[1,5-a]pyrazin-4-ylamino)ethylsulfanyl]propan-1-ol (PubChem CID 106307415) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-[2-(pyrazolo[1,5-a]pyrazin-4-ylamino)ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(pyrazolo[1,5-a]pyrazin-4-ylamino)ethylsulfanyl]propan-1-ol
PubChem CID106307415
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name3-[2-(pyrazolo[1,5-a]pyrazin-4-ylamino)ethylsulfanyl]propan-1-ol
SMILESOCCCSCCNc1nccn2nccc12
InChIInChI=1S/C11H16N4OS/c16-7-1-8-17-9-5-13-11-10-2-3-14-15(10)6-4-12-11/h2-4,6,16H,1,5,7-9H2,(H,12,13)
InChIKeyBGAXBIRGDZYUKO-UHFFFAOYSA-N
XLogP1.26
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(pyrazolo[1,5-a]pyrazin-4-ylamino)ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-(pyrazolo[1,5-a]pyrazin-4-ylamino)ethylsulfanyl]propan-1-ol (CID 106307415) is 3-[2-(pyrazolo[1,5-a]pyrazin-4-ylamino)ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-(pyrazolo[1,5-a]pyrazin-4-ylamino)ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-(pyrazolo[1,5-a]pyrazin-4-ylamino)ethylsulfanyl]propan-1-ol is OCCCSCCNc1nccn2nccc12.
What is the InChIKey of 3-[2-(pyrazolo[1,5-a]pyrazin-4-ylamino)ethylsulfanyl]propan-1-ol?
The InChIKey is BGAXBIRGDZYUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c16-7-1-8-17-9-5-13-11-10-2-3-14-15(10)6-4-12-11/h2-4,6,16H,1,5,7-9H2,(H,12,13).
What are the key properties of 3-[2-(pyrazolo[1,5-a]pyrazin-4-ylamino)ethylsulfanyl]propan-1-ol?
3-[2-(pyrazolo[1,5-a]pyrazin-4-ylamino)ethylsulfanyl]propan-1-ol has a molecular weight of 252.34 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(pyrazolo[1,5-a]pyrazin-4-ylamino)ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 106307415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).