ethane;2-methyl-5,6,7,8-tetrahydrophthalazin-1-one

C13H24N2O — CID 153352943

IUPACethane;2-methyl-5,6,7,8-tetrahydrophthalazin-1-one
SMILESCC.CC.Cn1ncc2c(c1=O)CCCC2
InChIInChI=1S/C9H12N2O.2C2H6/c1-11-9(12)8-5-3-2-4-7(8)6-10-11;2*1-2/h6H,2-5H2,1H3;2*1-2H3
InChIKeyRKJPZRNYHDEGDC-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.71
Rot. Bonds

About ethane;2-methyl-5,6,7,8-tetrahydrophthalazin-1-one

ethane;2-methyl-5,6,7,8-tetrahydrophthalazin-1-one (PubChem CID 153352943) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is ethane;2-methyl-5,6,7,8-tetrahydrophthalazin-1-one.

Molecular Properties

Compound Nameethane;2-methyl-5,6,7,8-tetrahydrophthalazin-1-one
PubChem CID153352943
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Nameethane;2-methyl-5,6,7,8-tetrahydrophthalazin-1-one
SMILESCC.CC.Cn1ncc2c(c1=O)CCCC2
InChIInChI=1S/C9H12N2O.2C2H6/c1-11-9(12)8-5-3-2-4-7(8)6-10-11;2*1-2/h6H,2-5H2,1H3;2*1-2H3
InChIKeyRKJPZRNYHDEGDC-UHFFFAOYSA-N
XLogP2.71
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,5,6,7,8-Hexahydrophthalazin-1-one
CID 66875468
2,6,7-Trimethyl-5,8-dihydrophthalazin-1-one
CID 11030602
2-Methyl-5,6,7,8-tetrahydrophthalazin-1-one
CID 90738135
3-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
CID 91164950
4-Chloro-2-methyl-5,6,7,8-tetrahydrophthalazin-1-one
CID 118917348
2-Propan-2-yl-5,6,7,8-tetrahydrophthalazin-1-one
CID 146189239
2-(Methylsulfanylmethyl)-5,6,7,8-tetrahydrophthalazin-1-one
CID 146191551
2-Methylsulfanyl-5,6,7,8-tetrahydrophthalazin-1-one
CID 155374683
1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyridazin-4-one
CID 163801589
2,4-Dimethyl-5,6,7,8-tetrahydrophthalazin-1-one
CID 163998723
2-(2-Aminoethyl)-5,6,7,8-tetrahydrophthalazin-1-one
CID 82505114

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5,6,7,8-tetrahydrophthalazin-1-one?
The IUPAC name of ethane;2-methyl-5,6,7,8-tetrahydrophthalazin-1-one (CID 153352943) is ethane;2-methyl-5,6,7,8-tetrahydrophthalazin-1-one.
What is the SMILES notation for ethane;2-methyl-5,6,7,8-tetrahydrophthalazin-1-one?
The canonical SMILES for ethane;2-methyl-5,6,7,8-tetrahydrophthalazin-1-one is CC.CC.Cn1ncc2c(c1=O)CCCC2.
What is the InChIKey of ethane;2-methyl-5,6,7,8-tetrahydrophthalazin-1-one?
The InChIKey is RKJPZRNYHDEGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.2C2H6/c1-11-9(12)8-5-3-2-4-7(8)6-10-11;2*1-2/h6H,2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;2-methyl-5,6,7,8-tetrahydrophthalazin-1-one?
ethane;2-methyl-5,6,7,8-tetrahydrophthalazin-1-one has a molecular weight of 224.35 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5,6,7,8-tetrahydrophthalazin-1-one is sourced from PubChem (CID 153352943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).