4-[4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]morpholine

C17H15N5O2S — CID 102450079

IUPAC4-[4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]morpholine
SMILESc1coc(-c2nc(N3CCOCC3)nc3cc(-c4cccs4)nn23)c1
InChIInChI=1S/C17H15N5O2S/c1-3-13(24-7-1)16-19-17(21-5-8-23-9-6-21)18-15-11-12(20-22(15)16)14-4-2-10-25-14/h1-4,7,10-11H,5-6,8-9H2
InChIKeyGFVQHODKCOHBKG-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.95
Rot. Bonds3

About 4-[4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]morpholine

4-[4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]morpholine (PubChem CID 102450079) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 4-[4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]morpholine
PubChem CID102450079
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name4-[4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]morpholine
SMILESc1coc(-c2nc(N3CCOCC3)nc3cc(-c4cccs4)nn23)c1
InChIInChI=1S/C17H15N5O2S/c1-3-13(24-7-1)16-19-17(21-5-8-23-9-6-21)18-15-11-12(20-22(15)16)14-4-2-10-25-14/h1-4,7,10-11H,5-6,8-9H2
InChIKeyGFVQHODKCOHBKG-UHFFFAOYSA-N
XLogP2.95
TPSA68.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]morpholine (CID 102450079) is 4-[4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]morpholine is c1coc(-c2nc(N3CCOCC3)nc3cc(-c4cccs4)nn23)c1.
What is the InChIKey of 4-[4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]morpholine?
The InChIKey is GFVQHODKCOHBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-3-13(24-7-1)16-19-17(21-5-8-23-9-6-21)18-15-11-12(20-22(15)16)14-4-2-10-25-14/h1-4,7,10-11H,5-6,8-9H2.
What are the key properties of 4-[4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]morpholine?
4-[4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]morpholine has a molecular weight of 353.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]morpholine is sourced from PubChem (CID 102450079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).