5-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one

C15H18N6OS — CID 23569317

IUPAC5-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one
SMILESCCc1cnn2c(NCc3ccc(=O)n(C)c3)nc(SC)nc12
InChIInChI=1S/C15H18N6OS/c1-4-11-8-17-21-13(11)18-15(23-3)19-14(21)16-7-10-5-6-12(22)20(2)9-10/h5-6,8-9H,4,7H2,1-3H3,(H,16,18,19)
InChIKeyGZLARFDNSSBAEL-UHFFFAOYSA-N
MW330.42 g/mol
LogP1.72
Rot. Bonds5

About 5-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one

5-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one (PubChem CID 23569317) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is 5-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one
PubChem CID23569317
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC Name5-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one
SMILESCCc1cnn2c(NCc3ccc(=O)n(C)c3)nc(SC)nc12
InChIInChI=1S/C15H18N6OS/c1-4-11-8-17-21-13(11)18-15(23-3)19-14(21)16-7-10-5-6-12(22)20(2)9-10/h5-6,8-9H,4,7H2,1-3H3,(H,16,18,19)
InChIKeyGZLARFDNSSBAEL-UHFFFAOYSA-N
XLogP1.72
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one (CID 23569317) is 5-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one is CCc1cnn2c(NCc3ccc(=O)n(C)c3)nc(SC)nc12.
What is the InChIKey of 5-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one?
The InChIKey is GZLARFDNSSBAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-4-11-8-17-21-13(11)18-15(23-3)19-14(21)16-7-10-5-6-12(22)20(2)9-10/h5-6,8-9H,4,7H2,1-3H3,(H,16,18,19).
What are the key properties of 5-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one?
5-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one has a molecular weight of 330.42 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 23569317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).