7-amino-4-methyl-2-(oxan-2-yl)phthalazin-1-one

C14H17N3O2 — CID 151522499

IUPAC7-amino-4-methyl-2-(oxan-2-yl)phthalazin-1-one
SMILESCc1nn(C2CCCCO2)c(=O)c2cc(N)ccc12
InChIInChI=1S/C14H17N3O2/c1-9-11-6-5-10(15)8-12(11)14(18)17(16-9)13-4-2-3-7-19-13/h5-6,8,13H,2-4,7,15H2,1H3
InChIKeyPUTMQDDGYOOGAM-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.99
Rot. Bonds1

About 7-amino-4-methyl-2-(oxan-2-yl)phthalazin-1-one

7-amino-4-methyl-2-(oxan-2-yl)phthalazin-1-one (PubChem CID 151522499) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 7-amino-4-methyl-2-(oxan-2-yl)phthalazin-1-one.

Molecular Properties

Compound Name7-amino-4-methyl-2-(oxan-2-yl)phthalazin-1-one
PubChem CID151522499
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name7-amino-4-methyl-2-(oxan-2-yl)phthalazin-1-one
SMILESCc1nn(C2CCCCO2)c(=O)c2cc(N)ccc12
InChIInChI=1S/C14H17N3O2/c1-9-11-6-5-10(15)8-12(11)14(18)17(16-9)13-4-2-3-7-19-13/h5-6,8,13H,2-4,7,15H2,1H3
InChIKeyPUTMQDDGYOOGAM-UHFFFAOYSA-N
XLogP1.99
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(4-methylphenyl)acetamide
CID 600118
2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(3-methylphenyl)acetamide
CID 4625446
N-(3,4-dimethylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 706208
N-(4-butylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 2187447
N-(3-acetylphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 6484781
7-Amino-2-Isopropyl-4-bromo-2H-phthalazin-1-one
CID 21106580
7-Amino-2-(oxan-2-ylmethyl)phthalazin-1-one
CID 22180209
7-Amino-2-benzylphthalazin-1-one
CID 22180586
7-Amino-2-cyclohexylphthalazin-1-one
CID 71570452
7-Amino-2-(cyclopropylmethyl)phthalazin-1-one
CID 71570454
7-Amino-2-hexylphthalazin-1-one
CID 71570455
7-Amino-2-(cyclohexylmethyl)phthalazin-1-one
CID 71570456

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-methyl-2-(oxan-2-yl)phthalazin-1-one?
The IUPAC name of 7-amino-4-methyl-2-(oxan-2-yl)phthalazin-1-one (CID 151522499) is 7-amino-4-methyl-2-(oxan-2-yl)phthalazin-1-one.
What is the SMILES notation for 7-amino-4-methyl-2-(oxan-2-yl)phthalazin-1-one?
The canonical SMILES for 7-amino-4-methyl-2-(oxan-2-yl)phthalazin-1-one is Cc1nn(C2CCCCO2)c(=O)c2cc(N)ccc12.
What is the InChIKey of 7-amino-4-methyl-2-(oxan-2-yl)phthalazin-1-one?
The InChIKey is PUTMQDDGYOOGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-11-6-5-10(15)8-12(11)14(18)17(16-9)13-4-2-3-7-19-13/h5-6,8,13H,2-4,7,15H2,1H3.
What are the key properties of 7-amino-4-methyl-2-(oxan-2-yl)phthalazin-1-one?
7-amino-4-methyl-2-(oxan-2-yl)phthalazin-1-one has a molecular weight of 259.31 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-methyl-2-(oxan-2-yl)phthalazin-1-one is sourced from PubChem (CID 151522499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).