2,4-dimethyl-5,6-dihydrophthalazin-1-one

C10H12N2O — CID 147363280

IUPAC2,4-dimethyl-5,6-dihydrophthalazin-1-one
SMILESCc1nn(C)c(=O)c2c1CCC=C2
InChIInChI=1S/C10H12N2O/c1-7-8-5-3-4-6-9(8)10(13)12(2)11-7/h4,6H,3,5H2,1-2H3
InChIKeyDHRGMYZCBOPNKM-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.05
Rot. Bonds

About 2,4-dimethyl-5,6-dihydrophthalazin-1-one

2,4-dimethyl-5,6-dihydrophthalazin-1-one (PubChem CID 147363280) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2,4-dimethyl-5,6-dihydrophthalazin-1-one.

Molecular Properties

Compound Name2,4-dimethyl-5,6-dihydrophthalazin-1-one
PubChem CID147363280
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2,4-dimethyl-5,6-dihydrophthalazin-1-one
SMILESCc1nn(C)c(=O)c2c1CCC=C2
InChIInChI=1S/C10H12N2O/c1-7-8-5-3-4-6-9(8)10(13)12(2)11-7/h4,6H,3,5H2,1-2H3
InChIKeyDHRGMYZCBOPNKM-UHFFFAOYSA-N
XLogP1.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-3(2H)-cinnolinone
CID 368585
2-Propan-2-ylcinnolin-3-one
CID 21779160
1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one
CID 90932152
1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one;ethene
CID 91019027
2,4-Dimethyl-6-propylpyridazin-3-one
CID 155699983
2,4-Dimethyl-5,8-dihydrophthalazin-1-one
CID 163863343
4,8-Diethyl-2-methyl-6,7-dihydrophthalazin-1-one
CID 167252041
5-Ethyl-2,6-dimethylpyridazin-3-one
CID 172614406
6-Butyl-2,4-dimethylpyridazin-3-one
CID 13278097
2,5-Dimethyl-4-prop-2-enylidenepyrazol-3-one
CID 59872788
2-(Prop-2-en-1-yl)-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126853160
2-(2-Methylprop-2-en-1-yl)-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126857430

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5,6-dihydrophthalazin-1-one?
The IUPAC name of 2,4-dimethyl-5,6-dihydrophthalazin-1-one (CID 147363280) is 2,4-dimethyl-5,6-dihydrophthalazin-1-one.
What is the SMILES notation for 2,4-dimethyl-5,6-dihydrophthalazin-1-one?
The canonical SMILES for 2,4-dimethyl-5,6-dihydrophthalazin-1-one is Cc1nn(C)c(=O)c2c1CCC=C2.
What is the InChIKey of 2,4-dimethyl-5,6-dihydrophthalazin-1-one?
The InChIKey is DHRGMYZCBOPNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7-8-5-3-4-6-9(8)10(13)12(2)11-7/h4,6H,3,5H2,1-2H3.
What are the key properties of 2,4-dimethyl-5,6-dihydrophthalazin-1-one?
2,4-dimethyl-5,6-dihydrophthalazin-1-one has a molecular weight of 176.22 g/mol, XLogP of 1.05, 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-dihydrophthalazin-1-one is sourced from PubChem (CID 147363280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).