4-(2-methylpropyl)-2H-phthalazin-1-one

C12H14N2O — CID 10035755

IUPAC4-(2-methylpropyl)-2H-phthalazin-1-one
SMILESCC(C)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C12H14N2O/c1-8(2)7-11-9-5-3-4-6-10(9)12(15)14-13-11/h3-6,8H,7H2,1-2H3,(H,14,15)
InChIKeyDRWOMQURVAFSGY-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.12
Rot. Bonds2

About 4-(2-methylpropyl)-2H-phthalazin-1-one

4-(2-methylpropyl)-2H-phthalazin-1-one (PubChem CID 10035755) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-2H-phthalazin-1-one
PubChem CID10035755
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-(2-methylpropyl)-2H-phthalazin-1-one
SMILESCC(C)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C12H14N2O/c1-8(2)7-11-9-5-3-4-6-10(9)12(15)14-13-11/h3-6,8H,7H2,1-2H3,(H,14,15)
InChIKeyDRWOMQURVAFSGY-UHFFFAOYSA-N
XLogP2.12
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-pyridin-3-ylpropyl)-2H-phthalazin-1-one
CID 22386478
4-(hydroxymethyl)-2H-phthalazin-1-one
CID 12649892
(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 7626374
N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 52996120
(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
4-[(N-methylanilino)methyl]-2H-phthalazin-1-one
CID 1482312
[(1R)-1-phenylethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789600
N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43420954
4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one
CID 15358728
4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one
CID 82371112
N-(5-methylhexan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43398156
4-[(2-methylphenoxy)methyl]-2H-phthalazin-1-one
CID 11821543

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-2H-phthalazin-1-one?
The IUPAC name of 4-(2-methylpropyl)-2H-phthalazin-1-one (CID 10035755) is 4-(2-methylpropyl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(2-methylpropyl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(2-methylpropyl)-2H-phthalazin-1-one is CC(C)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-(2-methylpropyl)-2H-phthalazin-1-one?
The InChIKey is DRWOMQURVAFSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8(2)7-11-9-5-3-4-6-10(9)12(15)14-13-11/h3-6,8H,7H2,1-2H3,(H,14,15).
What are the key properties of 4-(2-methylpropyl)-2H-phthalazin-1-one?
4-(2-methylpropyl)-2H-phthalazin-1-one has a molecular weight of 202.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2H-phthalazin-1-one is sourced from PubChem (CID 10035755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).