ethene;6-methylphthalazine

C11H12N2 — CID 145318051

IUPACethene;6-methylphthalazine
SMILESC=C.Cc1ccc2cnncc2c1
InChIInChI=1S/C9H8N2.C2H4/c1-7-2-3-8-5-10-11-6-9(8)4-7;1-2/h2-6H,1H3;1-2H2
InChIKeyAXSQRGUFVBKPNB-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.74
Rot. Bonds

About ethene;6-methylphthalazine

ethene;6-methylphthalazine (PubChem CID 145318051) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is ethene;6-methylphthalazine.

Molecular Properties

Compound Nameethene;6-methylphthalazine
PubChem CID145318051
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Nameethene;6-methylphthalazine
SMILESC=C.Cc1ccc2cnncc2c1
InChIInChI=1S/C9H8N2.C2H4/c1-7-2-3-8-5-10-11-6-9(8)4-7;1-2/h2-6H,1H3;1-2H2
InChIKeyAXSQRGUFVBKPNB-UHFFFAOYSA-N
XLogP2.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;6-methylphthalazine?
The IUPAC name of ethene;6-methylphthalazine (CID 145318051) is ethene;6-methylphthalazine.
What is the SMILES notation for ethene;6-methylphthalazine?
The canonical SMILES for ethene;6-methylphthalazine is C=C.Cc1ccc2cnncc2c1.
What is the InChIKey of ethene;6-methylphthalazine?
The InChIKey is AXSQRGUFVBKPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C2H4/c1-7-2-3-8-5-10-11-6-9(8)4-7;1-2/h2-6H,1H3;1-2H2.
What are the key properties of ethene;6-methylphthalazine?
ethene;6-methylphthalazine has a molecular weight of 172.23 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;6-methylphthalazine is sourced from PubChem (CID 145318051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).