4-methoxy-5-methyl-1-phenyl-1,2,4-triazinan-3-one

C11H15N3O2 — CID 10560937

IUPAC4-methoxy-5-methyl-1-phenyl-1,2,4-triazinan-3-one
SMILESCON1C(=O)NN(c2ccccc2)CC1C
InChIInChI=1S/C11H15N3O2/c1-9-8-13(10-6-4-3-5-7-10)12-11(15)14(9)16-2/h3-7,9H,8H2,1-2H3,(H,12,15)
InChIKeyNHZWOZFSPHXVPW-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.38
Rot. Bonds2

About 4-methoxy-5-methyl-1-phenyl-1,2,4-triazinan-3-one

4-methoxy-5-methyl-1-phenyl-1,2,4-triazinan-3-one (PubChem CID 10560937) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-methoxy-5-methyl-1-phenyl-1,2,4-triazinan-3-one.

Molecular Properties

Compound Name4-methoxy-5-methyl-1-phenyl-1,2,4-triazinan-3-one
PubChem CID10560937
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-methoxy-5-methyl-1-phenyl-1,2,4-triazinan-3-one
SMILESCON1C(=O)NN(c2ccccc2)CC1C
InChIInChI=1S/C11H15N3O2/c1-9-8-13(10-6-4-3-5-7-10)12-11(15)14(9)16-2/h3-7,9H,8H2,1-2H3,(H,12,15)
InChIKeyNHZWOZFSPHXVPW-UHFFFAOYSA-N
XLogP1.38
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 158996523
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CID 163578199
methane;4-(methoxymethyl)-1-phenylpyrazolidin-3-one
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4-hydroxy-1-phenylpyrazolidin-3-one
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4-(2-hydroxypropan-2-yl)-1-phenylpyrazolidin-3-one
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4-methyl-1-phenyl-1,2,4-triazinan-3-one
CID 10750236
4-[2-(dimethylamino)ethyl]-1-phenylpyrazolidin-3-one
CID 14840376
4-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one
CID 14840375
4-[(E)-pent-2-enyl]-1-phenylpyrazolidin-3-one
CID 23393107
(3R,4S)-3-chloro-4-methyl-1-phenylpyrrolidin-2-one
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1-methyl-3-phenyl-2,4-dihydro-1,3,4-benzotriazepin-5-one
CID 71577147

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-1-phenyl-1,2,4-triazinan-3-one?
The IUPAC name of 4-methoxy-5-methyl-1-phenyl-1,2,4-triazinan-3-one (CID 10560937) is 4-methoxy-5-methyl-1-phenyl-1,2,4-triazinan-3-one.
What is the SMILES notation for 4-methoxy-5-methyl-1-phenyl-1,2,4-triazinan-3-one?
The canonical SMILES for 4-methoxy-5-methyl-1-phenyl-1,2,4-triazinan-3-one is CON1C(=O)NN(c2ccccc2)CC1C.
What is the InChIKey of 4-methoxy-5-methyl-1-phenyl-1,2,4-triazinan-3-one?
The InChIKey is NHZWOZFSPHXVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-9-8-13(10-6-4-3-5-7-10)12-11(15)14(9)16-2/h3-7,9H,8H2,1-2H3,(H,12,15).
What are the key properties of 4-methoxy-5-methyl-1-phenyl-1,2,4-triazinan-3-one?
4-methoxy-5-methyl-1-phenyl-1,2,4-triazinan-3-one has a molecular weight of 221.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-1-phenyl-1,2,4-triazinan-3-one is sourced from PubChem (CID 10560937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).