4-methyl-2H-phthalazin-1-one

C9H8N2O — CID 21103

IUPAC4-methyl-2H-phthalazin-1-one
SMILESCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C9H8N2O/c1-6-7-4-2-3-5-8(7)9(12)11-10-6/h2-5H,1H3,(H,11,12)
InChIKeyQRNVHFPDZAZUGX-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.23
Rot. Bonds

About 4-methyl-2H-phthalazin-1-one

4-methyl-2H-phthalazin-1-one (PubChem CID 21103) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 4-methyl-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-methyl-2H-phthalazin-1-one
PubChem CID21103
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name4-methyl-2H-phthalazin-1-one
SMILESCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C9H8N2O/c1-6-7-4-2-3-5-8(7)9(12)11-10-6/h2-5H,1H3,(H,11,12)
InChIKeyQRNVHFPDZAZUGX-UHFFFAOYSA-N
XLogP1.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2H-phthalazin-1-one?
The IUPAC name of 4-methyl-2H-phthalazin-1-one (CID 21103) is 4-methyl-2H-phthalazin-1-one.
What is the SMILES notation for 4-methyl-2H-phthalazin-1-one?
The canonical SMILES for 4-methyl-2H-phthalazin-1-one is Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-methyl-2H-phthalazin-1-one?
The InChIKey is QRNVHFPDZAZUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-6-7-4-2-3-5-8(7)9(12)11-10-6/h2-5H,1H3,(H,11,12).
What are the key properties of 4-methyl-2H-phthalazin-1-one?
4-methyl-2H-phthalazin-1-one has a molecular weight of 160.18 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2H-phthalazin-1-one is sourced from PubChem (CID 21103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).