2,4-dimethyl-5,6,7,8-tetrahydrophthalazin-1-one

C10H14N2O — CID 163998723

IUPAC2,4-dimethyl-5,6,7,8-tetrahydrophthalazin-1-one
SMILESCc1nn(C)c(=O)c2c1CCCC2
InChIInChI=1S/C10H14N2O/c1-7-8-5-3-4-6-9(8)10(13)12(2)11-7/h3-6H2,1-2H3
InChIKeyUHAHIHVFTYZMDB-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.97
Rot. Bonds

About 2,4-dimethyl-5,6,7,8-tetrahydrophthalazin-1-one

2,4-dimethyl-5,6,7,8-tetrahydrophthalazin-1-one (PubChem CID 163998723) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2,4-dimethyl-5,6,7,8-tetrahydrophthalazin-1-one.

Molecular Properties

Compound Name2,4-dimethyl-5,6,7,8-tetrahydrophthalazin-1-one
PubChem CID163998723
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2,4-dimethyl-5,6,7,8-tetrahydrophthalazin-1-one
SMILESCc1nn(C)c(=O)c2c1CCCC2
InChIInChI=1S/C10H14N2O/c1-7-8-5-3-4-6-9(8)10(13)12(2)11-7/h3-6H2,1-2H3
InChIKeyUHAHIHVFTYZMDB-UHFFFAOYSA-N
XLogP0.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylaminomethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751873
4-pentyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751878
4-butyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751905
N-ethyl-N-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
CID 59751915
4-[2-(ethylamino)ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751916
4-[[ethyl(methyl)amino]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751918
N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-propan-2-ylacetamide
CID 59751923
4-[3-(ethylamino)propyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751924
4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751925
4-propyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751946
N,N-diethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
CID 59751959
N-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
CID 59825244

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5,6,7,8-tetrahydrophthalazin-1-one?
The IUPAC name of 2,4-dimethyl-5,6,7,8-tetrahydrophthalazin-1-one (CID 163998723) is 2,4-dimethyl-5,6,7,8-tetrahydrophthalazin-1-one.
What is the SMILES notation for 2,4-dimethyl-5,6,7,8-tetrahydrophthalazin-1-one?
The canonical SMILES for 2,4-dimethyl-5,6,7,8-tetrahydrophthalazin-1-one is Cc1nn(C)c(=O)c2c1CCCC2.
What is the InChIKey of 2,4-dimethyl-5,6,7,8-tetrahydrophthalazin-1-one?
The InChIKey is UHAHIHVFTYZMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-8-5-3-4-6-9(8)10(13)12(2)11-7/h3-6H2,1-2H3.
What are the key properties of 2,4-dimethyl-5,6,7,8-tetrahydrophthalazin-1-one?
2,4-dimethyl-5,6,7,8-tetrahydrophthalazin-1-one has a molecular weight of 178.23 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5,6,7,8-tetrahydrophthalazin-1-one is sourced from PubChem (CID 163998723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).