6-(4-chlorophenyl)-4-methyl-1,2,4-triazinan-3-one

C10H12ClN3O — CID 22248788

IUPAC6-(4-chlorophenyl)-4-methyl-1,2,4-triazinan-3-one
SMILESCN1CC(c2ccc(Cl)cc2)NNC1=O
InChIInChI=1S/C10H12ClN3O/c1-14-6-9(12-13-10(14)15)7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3,(H,13,15)
InChIKeyIHYHDODELLTNOL-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.54
Rot. Bonds1

About 6-(4-chlorophenyl)-4-methyl-1,2,4-triazinan-3-one

6-(4-chlorophenyl)-4-methyl-1,2,4-triazinan-3-one (PubChem CID 22248788) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-methyl-1,2,4-triazinan-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-methyl-1,2,4-triazinan-3-one
PubChem CID22248788
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name6-(4-chlorophenyl)-4-methyl-1,2,4-triazinan-3-one
SMILESCN1CC(c2ccc(Cl)cc2)NNC1=O
InChIInChI=1S/C10H12ClN3O/c1-14-6-9(12-13-10(14)15)7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3,(H,13,15)
InChIKeyIHYHDODELLTNOL-UHFFFAOYSA-N
XLogP1.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-methyl-1,2,4-triazinan-3-one?
The IUPAC name of 6-(4-chlorophenyl)-4-methyl-1,2,4-triazinan-3-one (CID 22248788) is 6-(4-chlorophenyl)-4-methyl-1,2,4-triazinan-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-4-methyl-1,2,4-triazinan-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-4-methyl-1,2,4-triazinan-3-one is CN1CC(c2ccc(Cl)cc2)NNC1=O.
What is the InChIKey of 6-(4-chlorophenyl)-4-methyl-1,2,4-triazinan-3-one?
The InChIKey is IHYHDODELLTNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-14-6-9(12-13-10(14)15)7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3,(H,13,15).
What are the key properties of 6-(4-chlorophenyl)-4-methyl-1,2,4-triazinan-3-one?
6-(4-chlorophenyl)-4-methyl-1,2,4-triazinan-3-one has a molecular weight of 225.68 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-methyl-1,2,4-triazinan-3-one is sourced from PubChem (CID 22248788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).