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

C15H18N6OS — CID 23569307

IUPAC4-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one
SMILESCCc1cnn2c(NCc3ccn(C)c(=O)c3)nc(SC)nc12
InChIInChI=1S/C15H18N6OS/c1-4-11-9-17-21-13(11)18-15(23-3)19-14(21)16-8-10-5-6-20(2)12(22)7-10/h5-7,9H,4,8H2,1-3H3,(H,16,18,19)
InChIKeyADBDKQITANCHCN-UHFFFAOYSA-N
MW330.42 g/mol
LogP1.72
Rot. Bonds5

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

4-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one (PubChem CID 23569307) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is 4-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one
PubChem CID23569307
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC Name4-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one
SMILESCCc1cnn2c(NCc3ccn(C)c(=O)c3)nc(SC)nc12
InChIInChI=1S/C15H18N6OS/c1-4-11-9-17-21-13(11)18-15(23-3)19-14(21)16-8-10-5-6-20(2)12(22)7-10/h5-7,9H,4,8H2,1-3H3,(H,16,18,19)
InChIKeyADBDKQITANCHCN-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 4-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one (CID 23569307) is 4-[[(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 4-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one is CCc1cnn2c(NCc3ccn(C)c(=O)c3)nc(SC)nc12.
What is the InChIKey of 4-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one?
The InChIKey is ADBDKQITANCHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-4-11-9-17-21-13(11)18-15(23-3)19-14(21)16-8-10-5-6-20(2)12(22)7-10/h5-7,9H,4,8H2,1-3H3,(H,16,18,19).
What are the key properties of 4-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one?
4-[[(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 4-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 23569307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).