1,4-dimethylphthalazine

C10H10N2 — CID 12565861

IUPAC1,4-dimethylphthalazine
SMILESCc1nnc(C)c2ccccc12
InChIInChI=1S/C10H10N2/c1-7-9-5-3-4-6-10(9)8(2)12-11-7/h3-6H,1-2H3
InChIKeyQQZVQGBXHFHFIC-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.25
Rot. Bonds

About 1,4-dimethylphthalazine

1,4-dimethylphthalazine (PubChem CID 12565861) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1,4-dimethylphthalazine.

Molecular Properties

Compound Name1,4-dimethylphthalazine
PubChem CID12565861
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name1,4-dimethylphthalazine
SMILESCc1nnc(C)c2ccccc12
InChIInChI=1S/C10H10N2/c1-7-9-5-3-4-6-10(9)8(2)12-11-7/h3-6H,1-2H3
InChIKeyQQZVQGBXHFHFIC-UHFFFAOYSA-N
XLogP2.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylphthalazine?
The IUPAC name of 1,4-dimethylphthalazine (CID 12565861) is 1,4-dimethylphthalazine.
What is the SMILES notation for 1,4-dimethylphthalazine?
The canonical SMILES for 1,4-dimethylphthalazine is Cc1nnc(C)c2ccccc12.
What is the InChIKey of 1,4-dimethylphthalazine?
The InChIKey is QQZVQGBXHFHFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-7-9-5-3-4-6-10(9)8(2)12-11-7/h3-6H,1-2H3.
What are the key properties of 1,4-dimethylphthalazine?
1,4-dimethylphthalazine has a molecular weight of 158.20 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylphthalazine is sourced from PubChem (CID 12565861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).