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

C8H10FN5O — CID 130427715

IUPAC1-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-fluoropropan-2-ol
SMILESNc1ncnc2c(CC(O)CF)cnn12
InChIInChI=1S/C8H10FN5O/c9-2-6(15)1-5-3-13-14-7(5)11-4-12-8(14)10/h3-4,6,15H,1-2H2,(H2,10,11,12)
InChIKeyPXUBZMYOTULQAK-UHFFFAOYSA-N
MW211.20 g/mol
LogP-0.42
Rot. Bonds3

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

1-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-fluoropropan-2-ol (PubChem CID 130427715) has the molecular formula C8H10FN5O and a molecular weight of 211.20 g/mol. Its IUPAC name is 1-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-fluoropropan-2-ol
PubChem CID130427715
Molecular FormulaC8H10FN5O
Molecular Weight211.20 g/mol
Exact Mass211.09
IUPAC Name1-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-fluoropropan-2-ol
SMILESNc1ncnc2c(CC(O)CF)cnn12
InChIInChI=1S/C8H10FN5O/c9-2-6(15)1-5-3-13-14-7(5)11-4-12-8(14)10/h3-4,6,15H,1-2H2,(H2,10,11,12)
InChIKeyPXUBZMYOTULQAK-UHFFFAOYSA-N
XLogP-0.42
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-fluoropropan-2-ol?
The IUPAC name of 1-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-fluoropropan-2-ol (CID 130427715) is 1-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-fluoropropan-2-ol.
What is the SMILES notation for 1-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-fluoropropan-2-ol?
The canonical SMILES for 1-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-fluoropropan-2-ol is Nc1ncnc2c(CC(O)CF)cnn12.
What is the InChIKey of 1-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-fluoropropan-2-ol?
The InChIKey is PXUBZMYOTULQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN5O/c9-2-6(15)1-5-3-13-14-7(5)11-4-12-8(14)10/h3-4,6,15H,1-2H2,(H2,10,11,12).
What are the key properties of 1-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-fluoropropan-2-ol?
1-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-fluoropropan-2-ol has a molecular weight of 211.20 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-fluoropropan-2-ol is sourced from PubChem (CID 130427715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).