4-(tert-butylamino)-2-phenylphthalazin-1-one

C18H19N3O — CID 102110654

IUPAC4-(tert-butylamino)-2-phenylphthalazin-1-one
SMILESCC(C)(C)Nc1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C18H19N3O/c1-18(2,3)19-16-14-11-7-8-12-15(14)17(22)21(20-16)13-9-5-4-6-10-13/h4-12H,1-3H3,(H,19,20)
InChIKeyZWBVGAFUQWRDHQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.60
Rot. Bonds2

About 4-(tert-butylamino)-2-phenylphthalazin-1-one

4-(tert-butylamino)-2-phenylphthalazin-1-one (PubChem CID 102110654) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(tert-butylamino)-2-phenylphthalazin-1-one.

Molecular Properties

Compound Name4-(tert-butylamino)-2-phenylphthalazin-1-one
PubChem CID102110654
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-(tert-butylamino)-2-phenylphthalazin-1-one
SMILESCC(C)(C)Nc1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C18H19N3O/c1-18(2,3)19-16-14-11-7-8-12-15(14)17(22)21(20-16)13-9-5-4-6-10-13/h4-12H,1-3H3,(H,19,20)
InChIKeyZWBVGAFUQWRDHQ-UHFFFAOYSA-N
XLogP3.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-2-phenylphthalazin-1-one
CID 134094588
N-(4-tert-butylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 7914088
N-acetyl-N-(4-oxo-3-phenylphthalazin-1-yl)acetamide
CID 52937819
4-(hydroxymethyl)-2-phenylphthalazin-1-one
CID 12649918
N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8760225
4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide
CID 78583454
N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 9163904
4-[(2E)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-phenylphthalazin-1-one
CID 135513968
N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 39949913
N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9104456
N-(4-iodophenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 4811491
4-oxo-3-phenyl-N-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide
CID 51148760

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-2-phenylphthalazin-1-one?
The IUPAC name of 4-(tert-butylamino)-2-phenylphthalazin-1-one (CID 102110654) is 4-(tert-butylamino)-2-phenylphthalazin-1-one.
What is the SMILES notation for 4-(tert-butylamino)-2-phenylphthalazin-1-one?
The canonical SMILES for 4-(tert-butylamino)-2-phenylphthalazin-1-one is CC(C)(C)Nc1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of 4-(tert-butylamino)-2-phenylphthalazin-1-one?
The InChIKey is ZWBVGAFUQWRDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-18(2,3)19-16-14-11-7-8-12-15(14)17(22)21(20-16)13-9-5-4-6-10-13/h4-12H,1-3H3,(H,19,20).
What are the key properties of 4-(tert-butylamino)-2-phenylphthalazin-1-one?
4-(tert-butylamino)-2-phenylphthalazin-1-one has a molecular weight of 293.37 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2-phenylphthalazin-1-one is sourced from PubChem (CID 102110654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).