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

C8H9F2N5O — CID 104858583

IUPAC2,2-difluoro-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propan-1-ol
SMILESOCC(F)(F)CNc1nccn2cnnc12
InChIInChI=1S/C8H9F2N5O/c9-8(10,4-16)3-12-6-7-14-13-5-15(7)2-1-11-6/h1-2,5,16H,3-4H2,(H,11,12)
InChIKeyOMZFXPPWWKAIKB-UHFFFAOYSA-N
MW229.19 g/mol
LogP0.16
Rot. Bonds4

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

2,2-difluoro-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propan-1-ol (PubChem CID 104858583) has the molecular formula C8H9F2N5O and a molecular weight of 229.19 g/mol. Its IUPAC name is 2,2-difluoro-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propan-1-ol
PubChem CID104858583
Molecular FormulaC8H9F2N5O
Molecular Weight229.19 g/mol
Exact Mass229.08
IUPAC Name2,2-difluoro-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propan-1-ol
SMILESOCC(F)(F)CNc1nccn2cnnc12
InChIInChI=1S/C8H9F2N5O/c9-8(10,4-16)3-12-6-7-14-13-5-15(7)2-1-11-6/h1-2,5,16H,3-4H2,(H,11,12)
InChIKeyOMZFXPPWWKAIKB-UHFFFAOYSA-N
XLogP0.16
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propan-1-ol (CID 104858583) is 2,2-difluoro-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propan-1-ol is OCC(F)(F)CNc1nccn2cnnc12.
What is the InChIKey of 2,2-difluoro-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propan-1-ol?
The InChIKey is OMZFXPPWWKAIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N5O/c9-8(10,4-16)3-12-6-7-14-13-5-15(7)2-1-11-6/h1-2,5,16H,3-4H2,(H,11,12).
What are the key properties of 2,2-difluoro-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propan-1-ol?
2,2-difluoro-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propan-1-ol has a molecular weight of 229.19 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propan-1-ol is sourced from PubChem (CID 104858583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).