8-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione

C19H23N5O3 — CID 16898427

IUPAC8-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione
SMILESCc1ccc(N2CCn3c2nn(CC(=O)N2CCCCC2)c(=O)c3=O)cc1
InChIInChI=1S/C19H23N5O3/c1-14-5-7-15(8-6-14)22-11-12-23-17(26)18(27)24(20-19(22)23)13-16(25)21-9-3-2-4-10-21/h5-8H,2-4,9-13H2,1H3
InChIKeySXEPRIDFTVPXDP-UHFFFAOYSA-N
MW369.43 g/mol
LogP0.88
Rot. Bonds3

About 8-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione

8-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione (PubChem CID 16898427) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 8-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione.

Molecular Properties

Compound Name8-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione
PubChem CID16898427
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name8-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione
SMILESCc1ccc(N2CCn3c2nn(CC(=O)N2CCCCC2)c(=O)c3=O)cc1
InChIInChI=1S/C19H23N5O3/c1-14-5-7-15(8-6-14)22-11-12-23-17(26)18(27)24(20-19(22)23)13-16(25)21-9-3-2-4-10-21/h5-8H,2-4,9-13H2,1H3
InChIKeySXEPRIDFTVPXDP-UHFFFAOYSA-N
XLogP0.88
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione?
The IUPAC name of 8-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione (CID 16898427) is 8-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione.
What is the SMILES notation for 8-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione?
The canonical SMILES for 8-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione is Cc1ccc(N2CCn3c2nn(CC(=O)N2CCCCC2)c(=O)c3=O)cc1.
What is the InChIKey of 8-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione?
The InChIKey is SXEPRIDFTVPXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-14-5-7-15(8-6-14)22-11-12-23-17(26)18(27)24(20-19(22)23)13-16(25)21-9-3-2-4-10-21/h5-8H,2-4,9-13H2,1H3.
What are the key properties of 8-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione?
8-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione has a molecular weight of 369.43 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione is sourced from PubChem (CID 16898427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).