5-benzyl-7-methyl-2-phenyl-1,5,6-triazaspiro[2.4]hepta-1,6-dien-4-one

C18H15N3O — CID 5243128

IUPAC5-benzyl-7-methyl-2-phenyl-1,5,6-triazaspiro[2.4]hepta-1,6-dien-4-one
SMILESCC1=NN(Cc2ccccc2)C(=O)C12N=C2c1ccccc1
InChIInChI=1S/C18H15N3O/c1-13-18(16(19-18)15-10-6-3-7-11-15)17(22)21(20-13)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3
InChIKeyGARFLKZDLGKGST-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.65
Rot. Bonds3

About 5-benzyl-7-methyl-2-phenyl-1,5,6-triazaspiro[2.4]hepta-1,6-dien-4-one

5-benzyl-7-methyl-2-phenyl-1,5,6-triazaspiro[2.4]hepta-1,6-dien-4-one (PubChem CID 5243128) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-benzyl-7-methyl-2-phenyl-1,5,6-triazaspiro[2.4]hepta-1,6-dien-4-one.

Molecular Properties

Compound Name5-benzyl-7-methyl-2-phenyl-1,5,6-triazaspiro[2.4]hepta-1,6-dien-4-one
PubChem CID5243128
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name5-benzyl-7-methyl-2-phenyl-1,5,6-triazaspiro[2.4]hepta-1,6-dien-4-one
SMILESCC1=NN(Cc2ccccc2)C(=O)C12N=C2c1ccccc1
InChIInChI=1S/C18H15N3O/c1-13-18(16(19-18)15-10-6-3-7-11-15)17(22)21(20-13)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3
InChIKeyGARFLKZDLGKGST-UHFFFAOYSA-N
XLogP2.65
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-bromo-2-methyl-4,5-diphenylpyrazol-3-one
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4-amino-2,4-dimethyl-5-phenylpyrazol-3-one
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(4R)-4-benzyl-3,4-dimethyl-5-phenylpyrazole
CID 94037143
2,4-dimethyl-5-phenyl-4-sulfanylpyrazol-3-one
CID 118538602
3-benzyl-1-(4-methoxy-3-phenylmethoxyphenyl)-2,3-diazaspiro[4.5]dec-1-en-4-one
CID 122386186
1-benzyl-5-phenylpyrimidin-2-one
CID 14318835
2-benzyl-5-phenylpyridazin-3-one
CID 71418083
ethyl 3-benzyl-5-methyl-2-phenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylate
CID 10069519

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-7-methyl-2-phenyl-1,5,6-triazaspiro[2.4]hepta-1,6-dien-4-one?
The IUPAC name of 5-benzyl-7-methyl-2-phenyl-1,5,6-triazaspiro[2.4]hepta-1,6-dien-4-one (CID 5243128) is 5-benzyl-7-methyl-2-phenyl-1,5,6-triazaspiro[2.4]hepta-1,6-dien-4-one.
What is the SMILES notation for 5-benzyl-7-methyl-2-phenyl-1,5,6-triazaspiro[2.4]hepta-1,6-dien-4-one?
The canonical SMILES for 5-benzyl-7-methyl-2-phenyl-1,5,6-triazaspiro[2.4]hepta-1,6-dien-4-one is CC1=NN(Cc2ccccc2)C(=O)C12N=C2c1ccccc1.
What is the InChIKey of 5-benzyl-7-methyl-2-phenyl-1,5,6-triazaspiro[2.4]hepta-1,6-dien-4-one?
The InChIKey is GARFLKZDLGKGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-13-18(16(19-18)15-10-6-3-7-11-15)17(22)21(20-13)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3.
What are the key properties of 5-benzyl-7-methyl-2-phenyl-1,5,6-triazaspiro[2.4]hepta-1,6-dien-4-one?
5-benzyl-7-methyl-2-phenyl-1,5,6-triazaspiro[2.4]hepta-1,6-dien-4-one has a molecular weight of 289.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-7-methyl-2-phenyl-1,5,6-triazaspiro[2.4]hepta-1,6-dien-4-one is sourced from PubChem (CID 5243128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).