2,4-dimethylphthalazin-1-one

C10H10N2O — CID 2147961

IUPAC2,4-dimethylphthalazin-1-one
SMILESCc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C10H10N2O/c1-7-8-5-3-4-6-9(8)10(13)12(2)11-7/h3-6H,1-2H3
InChIKeyWMNGVWLRFMUHEO-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.24
Rot. Bonds

About 2,4-dimethylphthalazin-1-one

2,4-dimethylphthalazin-1-one (PubChem CID 2147961) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2,4-dimethylphthalazin-1-one.

Molecular Properties

Compound Name2,4-dimethylphthalazin-1-one
PubChem CID2147961
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2,4-dimethylphthalazin-1-one
SMILESCc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C10H10N2O/c1-7-8-5-3-4-6-9(8)10(13)12(2)11-7/h3-6H,1-2H3
InChIKeyWMNGVWLRFMUHEO-UHFFFAOYSA-N
XLogP1.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenyl-1-(2H)-phthalazinone
CID 219150
1-Hydroxy-4-methylphthalazine
CID 21103
4-Benzyl-1(2H)-phthalazinone
CID 616651
2-Methylphthalazin-1-one
CID 313378
4-(aminomethyl)phthalazin-1(2H)-one
CID 816623
2-(4-Methyl-1-oxo-1,2-dihydrophthalazin-2-yl)acetic acid
CID 819380
Talastine
CID 65624
4-(4-chlorobenzyl)-2-methylphthalazin-1(2H)-one
CID 11522042
4-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)phthalazin-1(2H)-one
CID 10237099
2-Methyl-4-(phenylmethyl)phthalazin-1-one
CID 619552
4-methyl-2-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)phthalazin-1(2H)-one
CID 709326
N,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide
CID 738018

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylphthalazin-1-one?
The IUPAC name of 2,4-dimethylphthalazin-1-one (CID 2147961) is 2,4-dimethylphthalazin-1-one.
What is the SMILES notation for 2,4-dimethylphthalazin-1-one?
The canonical SMILES for 2,4-dimethylphthalazin-1-one is Cc1nn(C)c(=O)c2ccccc12.
What is the InChIKey of 2,4-dimethylphthalazin-1-one?
The InChIKey is WMNGVWLRFMUHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-8-5-3-4-6-9(8)10(13)12(2)11-7/h3-6H,1-2H3.
What are the key properties of 2,4-dimethylphthalazin-1-one?
2,4-dimethylphthalazin-1-one has a molecular weight of 174.20 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylphthalazin-1-one is sourced from PubChem (CID 2147961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).