8-(3-fluoro-2-methylpropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

C9H12FN5 — CID 161185445

IUPAC8-(3-fluoro-2-methylpropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(CF)Cc1cnn2c(N)ncnc12
InChIInChI=1S/C9H12FN5/c1-6(3-10)2-7-4-14-15-8(7)12-5-13-9(15)11/h4-6H,2-3H2,1H3,(H2,11,12,13)
InChIKeyPHMZHGOKYBPDFG-UHFFFAOYSA-N
MW209.23 g/mol
LogP0.85
Rot. Bonds3

About 8-(3-fluoro-2-methylpropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

8-(3-fluoro-2-methylpropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 161185445) has the molecular formula C9H12FN5 and a molecular weight of 209.23 g/mol. Its IUPAC name is 8-(3-fluoro-2-methylpropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(3-fluoro-2-methylpropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID161185445
Molecular FormulaC9H12FN5
Molecular Weight209.23 g/mol
Exact Mass209.11
IUPAC Name8-(3-fluoro-2-methylpropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(CF)Cc1cnn2c(N)ncnc12
InChIInChI=1S/C9H12FN5/c1-6(3-10)2-7-4-14-15-8(7)12-5-13-9(15)11/h4-6H,2-3H2,1H3,(H2,11,12,13)
InChIKeyPHMZHGOKYBPDFG-UHFFFAOYSA-N
XLogP0.85
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-2-methylpropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(3-fluoro-2-methylpropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 161185445) is 8-(3-fluoro-2-methylpropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(3-fluoro-2-methylpropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(3-fluoro-2-methylpropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(CF)Cc1cnn2c(N)ncnc12.
What is the InChIKey of 8-(3-fluoro-2-methylpropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is PHMZHGOKYBPDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN5/c1-6(3-10)2-7-4-14-15-8(7)12-5-13-9(15)11/h4-6H,2-3H2,1H3,(H2,11,12,13).
What are the key properties of 8-(3-fluoro-2-methylpropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(3-fluoro-2-methylpropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 209.23 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-2-methylpropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 161185445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).