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

C9H12N2O — CID 90738135

IUPAC2-methyl-5,6,7,8-tetrahydrophthalazin-1-one
SMILESCn1ncc2c(c1=O)CCCC2
InChIInChI=1S/C9H12N2O/c1-11-9(12)8-5-3-2-4-7(8)6-10-11/h6H,2-5H2,1H3
InChIKeyQOCHUFPKKMKCFY-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.66
Rot. Bonds

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

2-methyl-5,6,7,8-tetrahydrophthalazin-1-one (PubChem CID 90738135) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-methyl-5,6,7,8-tetrahydrophthalazin-1-one.

Molecular Properties

Compound Name2-methyl-5,6,7,8-tetrahydrophthalazin-1-one
PubChem CID90738135
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-methyl-5,6,7,8-tetrahydrophthalazin-1-one
SMILESCn1ncc2c(c1=O)CCCC2
InChIInChI=1S/C9H12N2O/c1-11-9(12)8-5-3-2-4-7(8)6-10-11/h6H,2-5H2,1H3
InChIKeyQOCHUFPKKMKCFY-UHFFFAOYSA-N
XLogP0.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.66
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
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
Ethane;2-methyl-5,6,7,8-tetrahydrophthalazin-1-one
CID 153352943
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
4-chloro-2-methyl-7-methylidene-6,8-dihydro-5H-phthalazin-1-one
CID 170776046
2-(2-Aminoethyl)-5,6,7,8-tetrahydrophthalazin-1-one
CID 82505114

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8-tetrahydrophthalazin-1-one?
The IUPAC name of 2-methyl-5,6,7,8-tetrahydrophthalazin-1-one (CID 90738135) is 2-methyl-5,6,7,8-tetrahydrophthalazin-1-one.
What is the SMILES notation for 2-methyl-5,6,7,8-tetrahydrophthalazin-1-one?
The canonical SMILES for 2-methyl-5,6,7,8-tetrahydrophthalazin-1-one is Cn1ncc2c(c1=O)CCCC2.
What is the InChIKey of 2-methyl-5,6,7,8-tetrahydrophthalazin-1-one?
The InChIKey is QOCHUFPKKMKCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11-9(12)8-5-3-2-4-7(8)6-10-11/h6H,2-5H2,1H3.
What are the key properties of 2-methyl-5,6,7,8-tetrahydrophthalazin-1-one?
2-methyl-5,6,7,8-tetrahydrophthalazin-1-one has a molecular weight of 164.21 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8-tetrahydrophthalazin-1-one is sourced from PubChem (CID 90738135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).