1-methylphthalazine

C9H8N2 — CID 589029

IUPAC1-methylphthalazine
SMILESCc1nncc2ccccc12
InChIInChI=1S/C9H8N2/c1-7-9-5-3-2-4-8(9)6-10-11-7/h2-6H,1H3
InChIKeyVXDPPGNAYZJZPM-UHFFFAOYSA-N
MW144.18 g/mol
LogP1.94
Rot. Bonds

About 1-methylphthalazine

1-methylphthalazine (PubChem CID 589029) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 1-methylphthalazine.

Molecular Properties

Compound Name1-methylphthalazine
PubChem CID589029
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name1-methylphthalazine
SMILESCc1nncc2ccccc12
InChIInChI=1S/C9H8N2/c1-7-9-5-3-2-4-8(9)6-10-11-7/h2-6H,1H3
InChIKeyVXDPPGNAYZJZPM-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 1-methylphthalazine?
The IUPAC name of 1-methylphthalazine (CID 589029) is 1-methylphthalazine.
What is the SMILES notation for 1-methylphthalazine?
The canonical SMILES for 1-methylphthalazine is Cc1nncc2ccccc12.
What is the InChIKey of 1-methylphthalazine?
The InChIKey is VXDPPGNAYZJZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-7-9-5-3-2-4-8(9)6-10-11-7/h2-6H,1H3.
What are the key properties of 1-methylphthalazine?
1-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 1-methylphthalazine is sourced from PubChem (CID 589029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).