1-ethoxyphthalazine

C10H10N2O — CID 3021739

IUPAC1-ethoxyphthalazine
SMILESCCOc1nncc2ccccc12
InChIInChI=1S/C10H10N2O/c1-2-13-10-9-6-4-3-5-8(9)7-11-12-10/h3-7H,2H2,1H3
InChIKeyNLWWKQYRAIGRKY-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.03
Rot. Bonds2

About 1-ethoxyphthalazine

1-ethoxyphthalazine (PubChem CID 3021739) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-ethoxyphthalazine.

Molecular Properties

Compound Name1-ethoxyphthalazine
PubChem CID3021739
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name1-ethoxyphthalazine
SMILESCCOc1nncc2ccccc12
InChIInChI=1S/C10H10N2O/c1-2-13-10-9-6-4-3-5-8(9)7-11-12-10/h3-7H,2H2,1H3
InChIKeyNLWWKQYRAIGRKY-UHFFFAOYSA-N
XLogP2.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxyphthalazine?
The IUPAC name of 1-ethoxyphthalazine (CID 3021739) is 1-ethoxyphthalazine.
What is the SMILES notation for 1-ethoxyphthalazine?
The canonical SMILES for 1-ethoxyphthalazine is CCOc1nncc2ccccc12.
What is the InChIKey of 1-ethoxyphthalazine?
The InChIKey is NLWWKQYRAIGRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-2-13-10-9-6-4-3-5-8(9)7-11-12-10/h3-7H,2H2,1H3.
What are the key properties of 1-ethoxyphthalazine?
1-ethoxyphthalazine has a molecular weight of 174.20 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyphthalazine is sourced from PubChem (CID 3021739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).