hydron;phthalazine

C8H7N2+ — CID 174643743

IUPAChydron;phthalazine
SMILES[H+].c1ccc2cnncc2c1
InChIInChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H/p+1
InChIKeyLFSXCDWNBUNEEM-UHFFFAOYSA-O
MW131.16 g/mol
LogP1.74
Rot. Bonds

About hydron;phthalazine

hydron;phthalazine (PubChem CID 174643743) has the molecular formula C8H7N2+ and a molecular weight of 131.16 g/mol. Its IUPAC name is hydron;phthalazine.

Molecular Properties

Compound Namehydron;phthalazine
PubChem CID174643743
Molecular FormulaC8H7N2+
Molecular Weight131.16 g/mol
Exact Mass131.06
IUPAC Namehydron;phthalazine
SMILES[H+].c1ccc2cnncc2c1
InChIInChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H/p+1
InChIKeyLFSXCDWNBUNEEM-UHFFFAOYSA-O
XLogP1.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of hydron;phthalazine?
The IUPAC name of hydron;phthalazine (CID 174643743) is hydron;phthalazine.
What is the SMILES notation for hydron;phthalazine?
The canonical SMILES for hydron;phthalazine is [H+].c1ccc2cnncc2c1.
What is the InChIKey of hydron;phthalazine?
The InChIKey is LFSXCDWNBUNEEM-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H/p+1.
What are the key properties of hydron;phthalazine?
hydron;phthalazine has a molecular weight of 131.16 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;phthalazine is sourced from PubChem (CID 174643743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).