7-amino-2-(cyclohexylmethyl)phthalazin-1-one

C15H19N3O — CID 71570456

IUPAC7-amino-2-(cyclohexylmethyl)phthalazin-1-one
SMILESNc1ccc2cnn(CC3CCCCC3)c(=O)c2c1
InChIInChI=1S/C15H19N3O/c16-13-7-6-12-9-17-18(15(19)14(12)8-13)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10,16H2
InChIKeyKLSVFOHYXDJNQX-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.56
Rot. Bonds2

About 7-amino-2-(cyclohexylmethyl)phthalazin-1-one

7-amino-2-(cyclohexylmethyl)phthalazin-1-one (PubChem CID 71570456) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 7-amino-2-(cyclohexylmethyl)phthalazin-1-one.

Molecular Properties

Compound Name7-amino-2-(cyclohexylmethyl)phthalazin-1-one
PubChem CID71570456
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name7-amino-2-(cyclohexylmethyl)phthalazin-1-one
SMILESNc1ccc2cnn(CC3CCCCC3)c(=O)c2c1
InChIInChI=1S/C15H19N3O/c16-13-7-6-12-9-17-18(15(19)14(12)8-13)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10,16H2
InChIKeyKLSVFOHYXDJNQX-UHFFFAOYSA-N
XLogP2.56
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.56
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-(cyclohexylmethyl)phthalazin-1-one?
The IUPAC name of 7-amino-2-(cyclohexylmethyl)phthalazin-1-one (CID 71570456) is 7-amino-2-(cyclohexylmethyl)phthalazin-1-one.
What is the SMILES notation for 7-amino-2-(cyclohexylmethyl)phthalazin-1-one?
The canonical SMILES for 7-amino-2-(cyclohexylmethyl)phthalazin-1-one is Nc1ccc2cnn(CC3CCCCC3)c(=O)c2c1.
What is the InChIKey of 7-amino-2-(cyclohexylmethyl)phthalazin-1-one?
The InChIKey is KLSVFOHYXDJNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-13-7-6-12-9-17-18(15(19)14(12)8-13)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10,16H2.
What are the key properties of 7-amino-2-(cyclohexylmethyl)phthalazin-1-one?
7-amino-2-(cyclohexylmethyl)phthalazin-1-one has a molecular weight of 257.34 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(cyclohexylmethyl)phthalazin-1-one is sourced from PubChem (CID 71570456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).