5-[(3-chlorophenyl)methyl]-1-(1-morpholin-4-ylethyl)-3-phenyl-1,2,4-triazin-6-one

C22H23ClN4O2 — CID 19787733

IUPAC5-[(3-chlorophenyl)methyl]-1-(1-morpholin-4-ylethyl)-3-phenyl-1,2,4-triazin-6-one
SMILESCC(N1CCOCC1)n1nc(-c2ccccc2)nc(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C22H23ClN4O2/c1-16(26-10-12-29-13-11-26)27-22(28)20(15-17-6-5-9-19(23)14-17)24-21(25-27)18-7-3-2-4-8-18/h2-9,14,16H,10-13,15H2,1H3
InChIKeyILZPISHDHUYMNG-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.40
Rot. Bonds5

About 5-[(3-chlorophenyl)methyl]-1-(1-morpholin-4-ylethyl)-3-phenyl-1,2,4-triazin-6-one

5-[(3-chlorophenyl)methyl]-1-(1-morpholin-4-ylethyl)-3-phenyl-1,2,4-triazin-6-one (PubChem CID 19787733) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-1-(1-morpholin-4-ylethyl)-3-phenyl-1,2,4-triazin-6-one.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-1-(1-morpholin-4-ylethyl)-3-phenyl-1,2,4-triazin-6-one
PubChem CID19787733
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name5-[(3-chlorophenyl)methyl]-1-(1-morpholin-4-ylethyl)-3-phenyl-1,2,4-triazin-6-one
SMILESCC(N1CCOCC1)n1nc(-c2ccccc2)nc(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C22H23ClN4O2/c1-16(26-10-12-29-13-11-26)27-22(28)20(15-17-6-5-9-19(23)14-17)24-21(25-27)18-7-3-2-4-8-18/h2-9,14,16H,10-13,15H2,1H3
InChIKeyILZPISHDHUYMNG-UHFFFAOYSA-N
XLogP3.40
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-1-(1-morpholin-4-ylethyl)-3-phenyl-1,2,4-triazin-6-one?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-1-(1-morpholin-4-ylethyl)-3-phenyl-1,2,4-triazin-6-one (CID 19787733) is 5-[(3-chlorophenyl)methyl]-1-(1-morpholin-4-ylethyl)-3-phenyl-1,2,4-triazin-6-one.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-1-(1-morpholin-4-ylethyl)-3-phenyl-1,2,4-triazin-6-one?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-1-(1-morpholin-4-ylethyl)-3-phenyl-1,2,4-triazin-6-one is CC(N1CCOCC1)n1nc(-c2ccccc2)nc(Cc2cccc(Cl)c2)c1=O.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-1-(1-morpholin-4-ylethyl)-3-phenyl-1,2,4-triazin-6-one?
The InChIKey is ILZPISHDHUYMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-16(26-10-12-29-13-11-26)27-22(28)20(15-17-6-5-9-19(23)14-17)24-21(25-27)18-7-3-2-4-8-18/h2-9,14,16H,10-13,15H2,1H3.
What are the key properties of 5-[(3-chlorophenyl)methyl]-1-(1-morpholin-4-ylethyl)-3-phenyl-1,2,4-triazin-6-one?
5-[(3-chlorophenyl)methyl]-1-(1-morpholin-4-ylethyl)-3-phenyl-1,2,4-triazin-6-one has a molecular weight of 410.91 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-1-(1-morpholin-4-ylethyl)-3-phenyl-1,2,4-triazin-6-one is sourced from PubChem (CID 19787733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).