3-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,1-difluoropropan-2-ol

C8H9F2N5O — CID 130427368

IUPAC3-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,1-difluoropropan-2-ol
SMILESNc1ncnc2c(CC(O)C(F)F)cnn12
InChIInChI=1S/C8H9F2N5O/c9-6(10)5(16)1-4-2-14-15-7(4)12-3-13-8(15)11/h2-3,5-6,16H,1H2,(H2,11,12,13)
InChIKeyBZHYXTADLBFJMA-UHFFFAOYSA-N
MW229.19 g/mol
LogP-0.12
Rot. Bonds3

About 3-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,1-difluoropropan-2-ol

3-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,1-difluoropropan-2-ol (PubChem CID 130427368) has the molecular formula C8H9F2N5O and a molecular weight of 229.19 g/mol. Its IUPAC name is 3-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,1-difluoropropan-2-ol
PubChem CID130427368
Molecular FormulaC8H9F2N5O
Molecular Weight229.19 g/mol
Exact Mass229.08
IUPAC Name3-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,1-difluoropropan-2-ol
SMILESNc1ncnc2c(CC(O)C(F)F)cnn12
InChIInChI=1S/C8H9F2N5O/c9-6(10)5(16)1-4-2-14-15-7(4)12-3-13-8(15)11/h2-3,5-6,16H,1H2,(H2,11,12,13)
InChIKeyBZHYXTADLBFJMA-UHFFFAOYSA-N
XLogP-0.12
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,1-difluoropropan-2-ol?
The IUPAC name of 3-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,1-difluoropropan-2-ol (CID 130427368) is 3-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,1-difluoropropan-2-ol is Nc1ncnc2c(CC(O)C(F)F)cnn12.
What is the InChIKey of 3-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,1-difluoropropan-2-ol?
The InChIKey is BZHYXTADLBFJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N5O/c9-6(10)5(16)1-4-2-14-15-7(4)12-3-13-8(15)11/h2-3,5-6,16H,1H2,(H2,11,12,13).
What are the key properties of 3-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,1-difluoropropan-2-ol?
3-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,1-difluoropropan-2-ol has a molecular weight of 229.19 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 130427368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).