2-[(4-methoxyphenyl)methyl]-5-methylidene-4-phenyl-1,2,4-triazolidin-3-one

C17H17N3O2 — CID 53315131

IUPAC2-[(4-methoxyphenyl)methyl]-5-methylidene-4-phenyl-1,2,4-triazolidin-3-one
SMILESC=C1NN(Cc2ccc(OC)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-13-18-19(12-14-8-10-16(22-2)11-9-14)17(21)20(13)15-6-4-3-5-7-15/h3-11,18H,1,12H2,2H3
InChIKeyLEAWJBXRFLOGRE-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.11
Rot. Bonds4

About 2-[(4-methoxyphenyl)methyl]-5-methylidene-4-phenyl-1,2,4-triazolidin-3-one

2-[(4-methoxyphenyl)methyl]-5-methylidene-4-phenyl-1,2,4-triazolidin-3-one (PubChem CID 53315131) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-5-methylidene-4-phenyl-1,2,4-triazolidin-3-one.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-5-methylidene-4-phenyl-1,2,4-triazolidin-3-one
PubChem CID53315131
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-[(4-methoxyphenyl)methyl]-5-methylidene-4-phenyl-1,2,4-triazolidin-3-one
SMILESC=C1NN(Cc2ccc(OC)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-13-18-19(12-14-8-10-16(22-2)11-9-14)17(21)20(13)15-6-4-3-5-7-15/h3-11,18H,1,12H2,2H3
InChIKeyLEAWJBXRFLOGRE-UHFFFAOYSA-N
XLogP3.11
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one
CID 16579069
(5R)-1-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 101259421
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
2-[(4-methoxyphenyl)methyl]pyrazolidin-3-one
CID 105458883
2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
CID 44537911
4-[1-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylimidazolidin-4-yl]ethenyl]benzonitrile
CID 135003401
(3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one
CID 10266407
4-(2-chlorophenyl)sulfanyl-1-[(4-methoxyphenyl)methyl]pyrazolidine-3,5-dione
CID 135283489
4-[4-benzyl-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]benzoic acid
CID 57422389
(2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium
CID 4068669
(5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 25185443
6-methoxy-2-phenylpyrrolo[3,4-b]quinoxaline-1,3-dione
CID 15417894

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-5-methylidene-4-phenyl-1,2,4-triazolidin-3-one?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-5-methylidene-4-phenyl-1,2,4-triazolidin-3-one (CID 53315131) is 2-[(4-methoxyphenyl)methyl]-5-methylidene-4-phenyl-1,2,4-triazolidin-3-one.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-5-methylidene-4-phenyl-1,2,4-triazolidin-3-one?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-5-methylidene-4-phenyl-1,2,4-triazolidin-3-one is C=C1NN(Cc2ccc(OC)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-5-methylidene-4-phenyl-1,2,4-triazolidin-3-one?
The InChIKey is LEAWJBXRFLOGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-13-18-19(12-14-8-10-16(22-2)11-9-14)17(21)20(13)15-6-4-3-5-7-15/h3-11,18H,1,12H2,2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-5-methylidene-4-phenyl-1,2,4-triazolidin-3-one?
2-[(4-methoxyphenyl)methyl]-5-methylidene-4-phenyl-1,2,4-triazolidin-3-one has a molecular weight of 295.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-5-methylidene-4-phenyl-1,2,4-triazolidin-3-one is sourced from PubChem (CID 53315131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).