3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methylpyrazolo[5,4-d]triazin-4-one

C14H20N6O2 — CID 136513641

IUPAC3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methylpyrazolo[5,4-d]triazin-4-one
SMILESCC1CC(C)CN(C(=O)Cn2nnc3c(cnn3C)c2=O)C1
InChIInChI=1S/C14H20N6O2/c1-9-4-10(2)7-19(6-9)12(21)8-20-14(22)11-5-15-18(3)13(11)16-17-20/h5,9-10H,4,6-8H2,1-3H3
InChIKeyKFYYYJIYEHFJBE-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.03
Rot. Bonds2

About 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methylpyrazolo[5,4-d]triazin-4-one

3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methylpyrazolo[5,4-d]triazin-4-one (PubChem CID 136513641) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methylpyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methylpyrazolo[5,4-d]triazin-4-one
PubChem CID136513641
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methylpyrazolo[5,4-d]triazin-4-one
SMILESCC1CC(C)CN(C(=O)Cn2nnc3c(cnn3C)c2=O)C1
InChIInChI=1S/C14H20N6O2/c1-9-4-10(2)7-19(6-9)12(21)8-20-14(22)11-5-15-18(3)13(11)16-17-20/h5,9-10H,4,6-8H2,1-3H3
InChIKeyKFYYYJIYEHFJBE-UHFFFAOYSA-N
XLogP0.03
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methylpyrazolo[5,4-d]triazin-4-one (CID 136513641) is 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methylpyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methylpyrazolo[5,4-d]triazin-4-one is CC1CC(C)CN(C(=O)Cn2nnc3c(cnn3C)c2=O)C1.
What is the InChIKey of 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The InChIKey is KFYYYJIYEHFJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-9-4-10(2)7-19(6-9)12(21)8-20-14(22)11-5-15-18(3)13(11)16-17-20/h5,9-10H,4,6-8H2,1-3H3.
What are the key properties of 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methylpyrazolo[5,4-d]triazin-4-one has a molecular weight of 304.35 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methylpyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 136513641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).