2-(4-methylcyclohexyl)phthalazin-1-one

C15H18N2O — CID 155730849

IUPAC2-(4-methylcyclohexyl)phthalazin-1-one
SMILESCC1CCC(n2ncc3ccccc3c2=O)CC1
InChIInChI=1S/C15H18N2O/c1-11-6-8-13(9-7-11)17-15(18)14-5-3-2-4-12(14)10-16-17/h2-5,10-11,13H,6-9H2,1H3
InChIKeyPWXNVGYPVQJILW-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.15
Rot. Bonds1

About 2-(4-methylcyclohexyl)phthalazin-1-one

2-(4-methylcyclohexyl)phthalazin-1-one (PubChem CID 155730849) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)phthalazin-1-one.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)phthalazin-1-one
PubChem CID155730849
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(4-methylcyclohexyl)phthalazin-1-one
SMILESCC1CCC(n2ncc3ccccc3c2=O)CC1
InChIInChI=1S/C15H18N2O/c1-11-6-8-13(9-7-11)17-15(18)14-5-3-2-4-12(14)10-16-17/h2-5,10-11,13H,6-9H2,1H3
InChIKeyPWXNVGYPVQJILW-UHFFFAOYSA-N
XLogP3.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrrolidin-3-ylphthalazin-1-one
CID 82105279
3-(1-oxophthalazin-2-yl)pyrrolidine-2,5-dione
CID 178180661
2-[2-(1-oxophthalazin-2-yl)sulfanylcyclohexyl]sulfanylphthalazin-1-one
CID 21495881
3-(4-methylcyclohexyl)-2-methylsulfanylquinazolin-4-one
CID 154830982
2-(4-cyclopropylphenyl)phthalazin-1-one
CID 155730870
2-(1,1-dioxothian-3-yl)-8-methylphthalazin-1-one
CID 139019555
N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 93242311
2-(2,2-dimethylpropyl)phthalazin-1-one
CID 122497308
4-methyl-1-(4-methylcyclohexyl)pyrazol-5-amine
CID 43148156
2-[2-(methylamino)pentyl]phthalazin-1-one
CID 62044061
2-[(4-ethylpiperazin-1-yl)methyl]phthalazin-1-one
CID 18132974
2-(pyrrolidin-1-ylmethyl)phthalazin-1-one
CID 35869698

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)phthalazin-1-one?
The IUPAC name of 2-(4-methylcyclohexyl)phthalazin-1-one (CID 155730849) is 2-(4-methylcyclohexyl)phthalazin-1-one.
What is the SMILES notation for 2-(4-methylcyclohexyl)phthalazin-1-one?
The canonical SMILES for 2-(4-methylcyclohexyl)phthalazin-1-one is CC1CCC(n2ncc3ccccc3c2=O)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)phthalazin-1-one?
The InChIKey is PWXNVGYPVQJILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-6-8-13(9-7-11)17-15(18)14-5-3-2-4-12(14)10-16-17/h2-5,10-11,13H,6-9H2,1H3.
What are the key properties of 2-(4-methylcyclohexyl)phthalazin-1-one?
2-(4-methylcyclohexyl)phthalazin-1-one has a molecular weight of 242.32 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)phthalazin-1-one is sourced from PubChem (CID 155730849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).