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

C12H18FN5O — CID 130427713

IUPAC8-(2-butoxy-3-fluoropropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCCOC(CF)Cc1cnn2c(N)ncnc12
InChIInChI=1S/C12H18FN5O/c1-2-3-4-19-10(6-13)5-9-7-17-18-11(9)15-8-16-12(18)14/h7-8,10H,2-6H2,1H3,(H2,14,15,16)
InChIKeyWLPNEOCVKJCGTA-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.40
Rot. Bonds7

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

8-(2-butoxy-3-fluoropropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 130427713) has the molecular formula C12H18FN5O and a molecular weight of 267.31 g/mol. Its IUPAC name is 8-(2-butoxy-3-fluoropropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(2-butoxy-3-fluoropropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID130427713
Molecular FormulaC12H18FN5O
Molecular Weight267.31 g/mol
Exact Mass267.15
IUPAC Name8-(2-butoxy-3-fluoropropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCCOC(CF)Cc1cnn2c(N)ncnc12
InChIInChI=1S/C12H18FN5O/c1-2-3-4-19-10(6-13)5-9-7-17-18-11(9)15-8-16-12(18)14/h7-8,10H,2-6H2,1H3,(H2,14,15,16)
InChIKeyWLPNEOCVKJCGTA-UHFFFAOYSA-N
XLogP1.40
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
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 8-(2-butoxy-3-fluoropropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(2-butoxy-3-fluoropropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 130427713) is 8-(2-butoxy-3-fluoropropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(2-butoxy-3-fluoropropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(2-butoxy-3-fluoropropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is CCCCOC(CF)Cc1cnn2c(N)ncnc12.
What is the InChIKey of 8-(2-butoxy-3-fluoropropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is WLPNEOCVKJCGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5O/c1-2-3-4-19-10(6-13)5-9-7-17-18-11(9)15-8-16-12(18)14/h7-8,10H,2-6H2,1H3,(H2,14,15,16).
What are the key properties of 8-(2-butoxy-3-fluoropropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(2-butoxy-3-fluoropropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 267.31 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-butoxy-3-fluoropropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 130427713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).