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

C19H21N5O2 — CID 20953453

IUPAC5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCC1CCN(C(=O)Cn2ncn3nc(-c4ccccc4)cc3c2=O)CC1
InChIInChI=1S/C19H21N5O2/c1-14-7-9-22(10-8-14)18(25)12-23-19(26)17-11-16(21-24(17)13-20-23)15-5-3-2-4-6-15/h2-6,11,13-14H,7-10,12H2,1H3
InChIKeySADJUBJYWZKUIX-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.82
Rot. Bonds3

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

5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 20953453) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID20953453
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCC1CCN(C(=O)Cn2ncn3nc(-c4ccccc4)cc3c2=O)CC1
InChIInChI=1S/C19H21N5O2/c1-14-7-9-22(10-8-14)18(25)12-23-19(26)17-11-16(21-24(17)13-20-23)15-5-3-2-4-6-15/h2-6,11,13-14H,7-10,12H2,1H3
InChIKeySADJUBJYWZKUIX-UHFFFAOYSA-N
XLogP1.82
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one (CID 20953453) is 5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one is CC1CCN(C(=O)Cn2ncn3nc(-c4ccccc4)cc3c2=O)CC1.
What is the InChIKey of 5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is SADJUBJYWZKUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-14-7-9-22(10-8-14)18(25)12-23-19(26)17-11-16(21-24(17)13-20-23)15-5-3-2-4-6-15/h2-6,11,13-14H,7-10,12H2,1H3.
What are the key properties of 5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one?
5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 351.41 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 20953453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).