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

C15H16FN5O — CID 130427717

IUPAC8-(3-fluoro-2-phenylmethoxypropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESNc1ncnc2c(CC(CF)OCc3ccccc3)cnn12
InChIInChI=1S/C15H16FN5O/c16-7-13(22-9-11-4-2-1-3-5-11)6-12-8-20-21-14(12)18-10-19-15(21)17/h1-5,8,10,13H,6-7,9H2,(H2,17,18,19)
InChIKeyAWVJPPWFERTRIY-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.80
Rot. Bonds6

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

8-(3-fluoro-2-phenylmethoxypropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 130427717) has the molecular formula C15H16FN5O and a molecular weight of 301.32 g/mol. Its IUPAC name is 8-(3-fluoro-2-phenylmethoxypropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(3-fluoro-2-phenylmethoxypropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID130427717
Molecular FormulaC15H16FN5O
Molecular Weight301.32 g/mol
Exact Mass301.13
IUPAC Name8-(3-fluoro-2-phenylmethoxypropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESNc1ncnc2c(CC(CF)OCc3ccccc3)cnn12
InChIInChI=1S/C15H16FN5O/c16-7-13(22-9-11-4-2-1-3-5-11)6-12-8-20-21-14(12)18-10-19-15(21)17/h1-5,8,10,13H,6-7,9H2,(H2,17,18,19)
InChIKeyAWVJPPWFERTRIY-UHFFFAOYSA-N
XLogP1.80
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-2-phenylmethoxypropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(3-fluoro-2-phenylmethoxypropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 130427717) is 8-(3-fluoro-2-phenylmethoxypropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(3-fluoro-2-phenylmethoxypropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(3-fluoro-2-phenylmethoxypropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is Nc1ncnc2c(CC(CF)OCc3ccccc3)cnn12.
What is the InChIKey of 8-(3-fluoro-2-phenylmethoxypropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is AWVJPPWFERTRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c16-7-13(22-9-11-4-2-1-3-5-11)6-12-8-20-21-14(12)18-10-19-15(21)17/h1-5,8,10,13H,6-7,9H2,(H2,17,18,19).
What are the key properties of 8-(3-fluoro-2-phenylmethoxypropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(3-fluoro-2-phenylmethoxypropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 301.32 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-2-phenylmethoxypropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 130427717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).