3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one

C18H20N6O2 — CID 1444505

IUPAC3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one
SMILESC[C@@H]1CCCCN1C(=O)Cn1nnc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C18H20N6O2/c1-13-7-5-6-10-22(13)16(25)12-23-18(26)15-11-19-24(17(15)20-21-23)14-8-3-2-4-9-14/h2-4,8-9,11,13H,5-7,10,12H2,1H3/t13-/m1/s1
InChIKeyUHQUBEWIWMJTNS-CYBMUJFWSA-N
MW352.40 g/mol
LogP1.38
Rot. Bonds3

About 3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one

3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one (PubChem CID 1444505) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one
PubChem CID1444505
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one
SMILESC[C@@H]1CCCCN1C(=O)Cn1nnc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C18H20N6O2/c1-13-7-5-6-10-22(13)16(25)12-23-18(26)15-11-19-24(17(15)20-21-23)14-8-3-2-4-9-14/h2-4,8-9,11,13H,5-7,10,12H2,1H3/t13-/m1/s1
InChIKeyUHQUBEWIWMJTNS-CYBMUJFWSA-N
XLogP1.38
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one with MolForge

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Related Compounds

3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-7-(4-fluorophenyl)pyrazolo[5,4-d]triazin-4-one
CID 1444440
2-(benzotriazol-1-yl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 863050
N-(2-chlorophenyl)-2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)acetamide
CID 1444490
1-(4-methylphenyl)-5-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16883092
cyclohexyl 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetate
CID 651351
1-(3,4-dichlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]tetrazol-5-one
CID 134124203
8-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-10-phenyl-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,11-trien-7-one
CID 110219460
2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-phenylacetamide
CID 6487805
(7R)-7-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one
CID 1434571
3-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 9489671
2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 47150555
3-cyclohex-2-en-1-yl-7-phenylpyrazolo[5,4-d]triazin-4-one
CID 71971182

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one (CID 1444505) is 3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one is C[C@@H]1CCCCN1C(=O)Cn1nnc2c(cnn2-c2ccccc2)c1=O.
What is the InChIKey of 3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one?
The InChIKey is UHQUBEWIWMJTNS-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-13-7-5-6-10-22(13)16(25)12-23-18(26)15-11-19-24(17(15)20-21-23)14-8-3-2-4-9-14/h2-4,8-9,11,13H,5-7,10,12H2,1H3/t13-/m1/s1.
What are the key properties of 3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one?
3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one has a molecular weight of 352.40 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 1444505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).