7-amino-2-cyclohexylphthalazin-1-one

C14H17N3O — CID 71570452

IUPAC7-amino-2-cyclohexylphthalazin-1-one
SMILESNc1ccc2cnn(C3CCCCC3)c(=O)c2c1
InChIInChI=1S/C14H17N3O/c15-11-7-6-10-9-16-17(14(18)13(10)8-11)12-4-2-1-3-5-12/h6-9,12H,1-5,15H2
InChIKeyMJSUVJGYFHZFNF-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.48
Rot. Bonds1

About 7-amino-2-cyclohexylphthalazin-1-one

7-amino-2-cyclohexylphthalazin-1-one (PubChem CID 71570452) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 7-amino-2-cyclohexylphthalazin-1-one.

Molecular Properties

Compound Name7-amino-2-cyclohexylphthalazin-1-one
PubChem CID71570452
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name7-amino-2-cyclohexylphthalazin-1-one
SMILESNc1ccc2cnn(C3CCCCC3)c(=O)c2c1
InChIInChI=1S/C14H17N3O/c15-11-7-6-10-9-16-17(14(18)13(10)8-11)12-4-2-1-3-5-12/h6-9,12H,1-5,15H2
InChIKeyMJSUVJGYFHZFNF-UHFFFAOYSA-N
XLogP2.48
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-cyclohexylphthalazin-1-one?
The IUPAC name of 7-amino-2-cyclohexylphthalazin-1-one (CID 71570452) is 7-amino-2-cyclohexylphthalazin-1-one.
What is the SMILES notation for 7-amino-2-cyclohexylphthalazin-1-one?
The canonical SMILES for 7-amino-2-cyclohexylphthalazin-1-one is Nc1ccc2cnn(C3CCCCC3)c(=O)c2c1.
What is the InChIKey of 7-amino-2-cyclohexylphthalazin-1-one?
The InChIKey is MJSUVJGYFHZFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-11-7-6-10-9-16-17(14(18)13(10)8-11)12-4-2-1-3-5-12/h6-9,12H,1-5,15H2.
What are the key properties of 7-amino-2-cyclohexylphthalazin-1-one?
7-amino-2-cyclohexylphthalazin-1-one has a molecular weight of 243.31 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-cyclohexylphthalazin-1-one is sourced from PubChem (CID 71570452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).