1-ethyl-6-methylphthalazine

C11H12N2 — CID 22419372

IUPAC1-ethyl-6-methylphthalazine
SMILESCCc1nncc2cc(C)ccc12
InChIInChI=1S/C11H12N2/c1-3-11-10-5-4-8(2)6-9(10)7-12-13-11/h4-7H,3H2,1-2H3
InChIKeyQJZJTGRKQLLJKI-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.50
Rot. Bonds1

About 1-ethyl-6-methylphthalazine

1-ethyl-6-methylphthalazine (PubChem CID 22419372) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-ethyl-6-methylphthalazine.

Molecular Properties

Compound Name1-ethyl-6-methylphthalazine
PubChem CID22419372
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name1-ethyl-6-methylphthalazine
SMILESCCc1nncc2cc(C)ccc12
InChIInChI=1S/C11H12N2/c1-3-11-10-5-4-8(2)6-9(10)7-12-13-11/h4-7H,3H2,1-2H3
InChIKeyQJZJTGRKQLLJKI-UHFFFAOYSA-N
XLogP2.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methylphthalazine?
The IUPAC name of 1-ethyl-6-methylphthalazine (CID 22419372) is 1-ethyl-6-methylphthalazine.
What is the SMILES notation for 1-ethyl-6-methylphthalazine?
The canonical SMILES for 1-ethyl-6-methylphthalazine is CCc1nncc2cc(C)ccc12.
What is the InChIKey of 1-ethyl-6-methylphthalazine?
The InChIKey is QJZJTGRKQLLJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-3-11-10-5-4-8(2)6-9(10)7-12-13-11/h4-7H,3H2,1-2H3.
What are the key properties of 1-ethyl-6-methylphthalazine?
1-ethyl-6-methylphthalazine has a molecular weight of 172.23 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methylphthalazine is sourced from PubChem (CID 22419372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).