4-benzyl-1-phenyl-1,2,4-triazinan-3-one

C16H17N3O — CID 10587904

IUPAC4-benzyl-1-phenyl-1,2,4-triazinan-3-one
SMILESO=C1NN(c2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C16H17N3O/c20-16-17-19(15-9-5-2-6-10-15)12-11-18(16)13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,17,20)
InChIKeyMHOWFJQDAGLHOJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.63
Rot. Bonds3

About 4-benzyl-1-phenyl-1,2,4-triazinan-3-one

4-benzyl-1-phenyl-1,2,4-triazinan-3-one (PubChem CID 10587904) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-benzyl-1-phenyl-1,2,4-triazinan-3-one.

Molecular Properties

Compound Name4-benzyl-1-phenyl-1,2,4-triazinan-3-one
PubChem CID10587904
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-benzyl-1-phenyl-1,2,4-triazinan-3-one
SMILESO=C1NN(c2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C16H17N3O/c20-16-17-19(15-9-5-2-6-10-15)12-11-18(16)13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,17,20)
InChIKeyMHOWFJQDAGLHOJ-UHFFFAOYSA-N
XLogP2.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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dipotassium;1-phenylpyrazolidin-3-one;sulfite
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dipotassium;bis(1-phenylpyrazolidin-3-one);sulfite
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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-phenyl-1,2,4-triazinan-3-one?
The IUPAC name of 4-benzyl-1-phenyl-1,2,4-triazinan-3-one (CID 10587904) is 4-benzyl-1-phenyl-1,2,4-triazinan-3-one.
What is the SMILES notation for 4-benzyl-1-phenyl-1,2,4-triazinan-3-one?
The canonical SMILES for 4-benzyl-1-phenyl-1,2,4-triazinan-3-one is O=C1NN(c2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of 4-benzyl-1-phenyl-1,2,4-triazinan-3-one?
The InChIKey is MHOWFJQDAGLHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16-17-19(15-9-5-2-6-10-15)12-11-18(16)13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,17,20).
What are the key properties of 4-benzyl-1-phenyl-1,2,4-triazinan-3-one?
4-benzyl-1-phenyl-1,2,4-triazinan-3-one has a molecular weight of 267.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-phenyl-1,2,4-triazinan-3-one is sourced from PubChem (CID 10587904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).