6-methylphthalazine

C9H8N2 — CID 12679508

IUPAC6-methylphthalazine
SMILESCc1ccc2cnncc2c1
InChIInChI=1S/C9H8N2/c1-7-2-3-8-5-10-11-6-9(8)4-7/h2-6H,1H3
InChIKeyNPOVJYAUMRFAQD-UHFFFAOYSA-N
MW144.18 g/mol
LogP1.94
Rot. Bonds

About 6-methylphthalazine

6-methylphthalazine (PubChem CID 12679508) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 6-methylphthalazine.

Molecular Properties

Compound Name6-methylphthalazine
PubChem CID12679508
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name6-methylphthalazine
SMILESCc1ccc2cnncc2c1
InChIInChI=1S/C9H8N2/c1-7-2-3-8-5-10-11-6-9(8)4-7/h2-6H,1H3
InChIKeyNPOVJYAUMRFAQD-UHFFFAOYSA-N
XLogP1.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylphthalazine?
The IUPAC name of 6-methylphthalazine (CID 12679508) is 6-methylphthalazine.
What is the SMILES notation for 6-methylphthalazine?
The canonical SMILES for 6-methylphthalazine is Cc1ccc2cnncc2c1.
What is the InChIKey of 6-methylphthalazine?
The InChIKey is NPOVJYAUMRFAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-7-2-3-8-5-10-11-6-9(8)4-7/h2-6H,1H3.
What are the key properties of 6-methylphthalazine?
6-methylphthalazine has a molecular weight of 144.18 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylphthalazine is sourced from PubChem (CID 12679508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).