3-[(1-benzoyl-4-hydroxypiperidin-4-yl)methyl]-7-phenyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one

C24H25N5O3 — CID 169489999

IUPAC3-[(1-benzoyl-4-hydroxypiperidin-4-yl)methyl]-7-phenyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one
SMILESO=C(c1ccccc1)N1CCC(O)(CN2CNn3c(cnc3-c3ccccc3)C2=O)CC1
InChIInChI=1S/C24H25N5O3/c30-22(19-9-5-2-6-10-19)27-13-11-24(32,12-14-27)16-28-17-26-29-20(23(28)31)15-25-21(29)18-7-3-1-4-8-18/h1-10,15,26,32H,11-14,16-17H2
InChIKeyCKJYMEHHKZIUEM-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.17
Rot. Bonds4

About 3-[(1-benzoyl-4-hydroxypiperidin-4-yl)methyl]-7-phenyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one

3-[(1-benzoyl-4-hydroxypiperidin-4-yl)methyl]-7-phenyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 169489999) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 3-[(1-benzoyl-4-hydroxypiperidin-4-yl)methyl]-7-phenyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-[(1-benzoyl-4-hydroxypiperidin-4-yl)methyl]-7-phenyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID169489999
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name3-[(1-benzoyl-4-hydroxypiperidin-4-yl)methyl]-7-phenyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one
SMILESO=C(c1ccccc1)N1CCC(O)(CN2CNn3c(cnc3-c3ccccc3)C2=O)CC1
InChIInChI=1S/C24H25N5O3/c30-22(19-9-5-2-6-10-19)27-13-11-24(32,12-14-27)16-28-17-26-29-20(23(28)31)15-25-21(29)18-7-3-1-4-8-18/h1-10,15,26,32H,11-14,16-17H2
InChIKeyCKJYMEHHKZIUEM-UHFFFAOYSA-N
XLogP2.17
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzoyl-4-hydroxypiperidin-4-yl)methyl]-7-phenyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 3-[(1-benzoyl-4-hydroxypiperidin-4-yl)methyl]-7-phenyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one (CID 169489999) is 3-[(1-benzoyl-4-hydroxypiperidin-4-yl)methyl]-7-phenyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 3-[(1-benzoyl-4-hydroxypiperidin-4-yl)methyl]-7-phenyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 3-[(1-benzoyl-4-hydroxypiperidin-4-yl)methyl]-7-phenyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one is O=C(c1ccccc1)N1CCC(O)(CN2CNn3c(cnc3-c3ccccc3)C2=O)CC1.
What is the InChIKey of 3-[(1-benzoyl-4-hydroxypiperidin-4-yl)methyl]-7-phenyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is CKJYMEHHKZIUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c30-22(19-9-5-2-6-10-19)27-13-11-24(32,12-14-27)16-28-17-26-29-20(23(28)31)15-25-21(29)18-7-3-1-4-8-18/h1-10,15,26,32H,11-14,16-17H2.
What are the key properties of 3-[(1-benzoyl-4-hydroxypiperidin-4-yl)methyl]-7-phenyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one?
3-[(1-benzoyl-4-hydroxypiperidin-4-yl)methyl]-7-phenyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 431.50 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzoyl-4-hydroxypiperidin-4-yl)methyl]-7-phenyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 169489999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).