4-[[(2S)-2-(dimethylamino)butyl]amino]-2-methylphthalazin-1-one

C15H22N4O — CID 118928732

IUPAC4-[[(2S)-2-(dimethylamino)butyl]amino]-2-methylphthalazin-1-one
SMILESCC[C@@H](CNc1nn(C)c(=O)c2ccccc12)N(C)C
InChIInChI=1S/C15H22N4O/c1-5-11(18(2)3)10-16-14-12-8-6-7-9-13(12)15(20)19(4)17-14/h6-9,11H,5,10H2,1-4H3,(H,16,17)/t11-/m0/s1
InChIKeyWRIZULNMZLMXOZ-NSHDSACASA-N
MW274.37 g/mol
LogP1.69
Rot. Bonds5

About 4-[[(2S)-2-(dimethylamino)butyl]amino]-2-methylphthalazin-1-one

4-[[(2S)-2-(dimethylamino)butyl]amino]-2-methylphthalazin-1-one (PubChem CID 118928732) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-[[(2S)-2-(dimethylamino)butyl]amino]-2-methylphthalazin-1-one.

Molecular Properties

Compound Name4-[[(2S)-2-(dimethylamino)butyl]amino]-2-methylphthalazin-1-one
PubChem CID118928732
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-[[(2S)-2-(dimethylamino)butyl]amino]-2-methylphthalazin-1-one
SMILESCC[C@@H](CNc1nn(C)c(=O)c2ccccc12)N(C)C
InChIInChI=1S/C15H22N4O/c1-5-11(18(2)3)10-16-14-12-8-6-7-9-13(12)15(20)19(4)17-14/h6-9,11H,5,10H2,1-4H3,(H,16,17)/t11-/m0/s1
InChIKeyWRIZULNMZLMXOZ-NSHDSACASA-N
XLogP1.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2R)-2-(dimethylamino)butyl]amino]-2-methylphthalazin-1-one
CID 118928686
4-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-methylphthalazin-1-one
CID 118928588
4-[[2-[4-(benzenesulfonyl)phenyl]-2-(dimethylamino)ethyl]amino]-2-methylphthalazin-1-one
CID 145029205
4-ethyl-2-methylphthalazin-1-one
CID 58923354
buta-1,3-diene;8-[[2-(dimethylamino)-2-phenylethyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one
CID 145029079
4-[[(1R,2S)-1-(dimethylamino)-1-pyridin-2-ylpropan-2-yl]amino]-2-methylphthalazin-1-one
CID 118928730
4-(aminomethyl)-2-methylphthalazin-1-one
CID 589800
4-[[(1S,2S)-1-(dimethylamino)-1-(4-propan-2-yloxyphenyl)propan-2-yl]amino]-2-methylphthalazin-1-one
CID 118928690
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 8796334
2-[methyl-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetic acid
CID 119136397
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 2709525
4-bromo-2-methylphthalazin-1-one
CID 50994048

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-(dimethylamino)butyl]amino]-2-methylphthalazin-1-one?
The IUPAC name of 4-[[(2S)-2-(dimethylamino)butyl]amino]-2-methylphthalazin-1-one (CID 118928732) is 4-[[(2S)-2-(dimethylamino)butyl]amino]-2-methylphthalazin-1-one.
What is the SMILES notation for 4-[[(2S)-2-(dimethylamino)butyl]amino]-2-methylphthalazin-1-one?
The canonical SMILES for 4-[[(2S)-2-(dimethylamino)butyl]amino]-2-methylphthalazin-1-one is CC[C@@H](CNc1nn(C)c(=O)c2ccccc12)N(C)C.
What is the InChIKey of 4-[[(2S)-2-(dimethylamino)butyl]amino]-2-methylphthalazin-1-one?
The InChIKey is WRIZULNMZLMXOZ-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N4O/c1-5-11(18(2)3)10-16-14-12-8-6-7-9-13(12)15(20)19(4)17-14/h6-9,11H,5,10H2,1-4H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 4-[[(2S)-2-(dimethylamino)butyl]amino]-2-methylphthalazin-1-one?
4-[[(2S)-2-(dimethylamino)butyl]amino]-2-methylphthalazin-1-one has a molecular weight of 274.37 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-(dimethylamino)butyl]amino]-2-methylphthalazin-1-one is sourced from PubChem (CID 118928732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).