2-(5-fluoro-3-pyridinyl)-8-morpholin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

C14H13FN6O2 — CID 146485215

IUPAC2-(5-fluoro-3-pyridinyl)-8-morpholin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESO=c1[nH]c(-c2cncc(F)c2)nc2c(N3CCOCC3)cnn12
InChIInChI=1S/C14H13FN6O2/c15-10-5-9(6-16-7-10)12-18-13-11(20-1-3-23-4-2-20)8-17-21(13)14(22)19-12/h5-8H,1-4H2,(H,18,19,22)
InChIKeyGNOJNEQEHTXWOT-UHFFFAOYSA-N
MW316.30 g/mol
LogP0.46
Rot. Bonds2

About 2-(5-fluoro-3-pyridinyl)-8-morpholin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

2-(5-fluoro-3-pyridinyl)-8-morpholin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (PubChem CID 146485215) has the molecular formula C14H13FN6O2 and a molecular weight of 316.30 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-8-morpholin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-8-morpholin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
PubChem CID146485215
Molecular FormulaC14H13FN6O2
Molecular Weight316.30 g/mol
Exact Mass316.11
IUPAC Name2-(5-fluoro-3-pyridinyl)-8-morpholin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESO=c1[nH]c(-c2cncc(F)c2)nc2c(N3CCOCC3)cnn12
InChIInChI=1S/C14H13FN6O2/c15-10-5-9(6-16-7-10)12-18-13-11(20-1-3-23-4-2-20)8-17-21(13)14(22)19-12/h5-8H,1-4H2,(H,18,19,22)
InChIKeyGNOJNEQEHTXWOT-UHFFFAOYSA-N
XLogP0.46
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-8-morpholin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-8-morpholin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (CID 146485215) is 2-(5-fluoro-3-pyridinyl)-8-morpholin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-8-morpholin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-8-morpholin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is O=c1[nH]c(-c2cncc(F)c2)nc2c(N3CCOCC3)cnn12.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-8-morpholin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The InChIKey is GNOJNEQEHTXWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN6O2/c15-10-5-9(6-16-7-10)12-18-13-11(20-1-3-23-4-2-20)8-17-21(13)14(22)19-12/h5-8H,1-4H2,(H,18,19,22).
What are the key properties of 2-(5-fluoro-3-pyridinyl)-8-morpholin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
2-(5-fluoro-3-pyridinyl)-8-morpholin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one has a molecular weight of 316.30 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-8-morpholin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is sourced from PubChem (CID 146485215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).