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

C9H11FN5O2P — CID 130426096

IUPAC8-[3-fluoro-2-(phosphorosomethoxy)propyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESNc1ncnc2c(CC(CF)OCP=O)cnn12
InChIInChI=1S/C9H11FN5O2P/c10-2-7(17-5-18-16)1-6-3-14-15-8(6)12-4-13-9(15)11/h3-4,7H,1-2,5H2,(H2,11,12,13)
InChIKeyLKULAUYIILTHEK-UHFFFAOYSA-N
MW271.19 g/mol
LogP0.85
Rot. Bonds6

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

8-[3-fluoro-2-(phosphorosomethoxy)propyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 130426096) has the molecular formula C9H11FN5O2P and a molecular weight of 271.19 g/mol. Its IUPAC name is 8-[3-fluoro-2-(phosphorosomethoxy)propyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-[3-fluoro-2-(phosphorosomethoxy)propyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID130426096
Molecular FormulaC9H11FN5O2P
Molecular Weight271.19 g/mol
Exact Mass271.06
IUPAC Name8-[3-fluoro-2-(phosphorosomethoxy)propyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESNc1ncnc2c(CC(CF)OCP=O)cnn12
InChIInChI=1S/C9H11FN5O2P/c10-2-7(17-5-18-16)1-6-3-14-15-8(6)12-4-13-9(15)11/h3-4,7H,1-2,5H2,(H2,11,12,13)
InChIKeyLKULAUYIILTHEK-UHFFFAOYSA-N
XLogP0.85
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[3-fluoro-2-(phosphorosomethoxy)propyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-[3-fluoro-2-(phosphorosomethoxy)propyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 130426096) is 8-[3-fluoro-2-(phosphorosomethoxy)propyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-[3-fluoro-2-(phosphorosomethoxy)propyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-[3-fluoro-2-(phosphorosomethoxy)propyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is Nc1ncnc2c(CC(CF)OCP=O)cnn12.
What is the InChIKey of 8-[3-fluoro-2-(phosphorosomethoxy)propyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is LKULAUYIILTHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN5O2P/c10-2-7(17-5-18-16)1-6-3-14-15-8(6)12-4-13-9(15)11/h3-4,7H,1-2,5H2,(H2,11,12,13).
What are the key properties of 8-[3-fluoro-2-(phosphorosomethoxy)propyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-[3-fluoro-2-(phosphorosomethoxy)propyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 271.19 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-fluoro-2-(phosphorosomethoxy)propyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 130426096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).