1,4-diethoxyphthalazine

C12H14N2O2 — CID 595769

IUPAC1,4-diethoxyphthalazine
SMILESCCOc1nnc(OCC)c2ccccc12
InChIInChI=1S/C12H14N2O2/c1-3-15-11-9-7-5-6-8-10(9)12(14-13-11)16-4-2/h5-8H,3-4H2,1-2H3
InChIKeyOOTQDEUWWZEDFD-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.43
Rot. Bonds4

About 1,4-diethoxyphthalazine

1,4-diethoxyphthalazine (PubChem CID 595769) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1,4-diethoxyphthalazine.

Molecular Properties

Compound Name1,4-diethoxyphthalazine
PubChem CID595769
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1,4-diethoxyphthalazine
SMILESCCOc1nnc(OCC)c2ccccc12
InChIInChI=1S/C12H14N2O2/c1-3-15-11-9-7-5-6-8-10(9)12(14-13-11)16-4-2/h5-8H,3-4H2,1-2H3
InChIKeyOOTQDEUWWZEDFD-UHFFFAOYSA-N
XLogP2.43
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-Dimethoxyphthalazine
CID 605292
1-(4-Methylphenyl)-4-(oxolan-2-ylmethoxy)phthalazine
CID 2945112
Phthalazine, 1-phenoxy-
CID 613554
1-(4-Methylphenoxy)-4-phenylphthalazine
CID 6413250
1-Methoxy-4-(4-methylphenyl)phthalazine
CID 2881546
1-Methoxyphthalazine
CID 154882
Phthalazine, 1-ethoxy-
CID 3021739
1-Chloro-4-methoxyphthalazine
CID 6401197
1-(4-Methoxyphenoxy)-4-(4-methylphenyl)phthalazine
CID 2939087
1-(4-Methoxyphenoxy)-4-methylphthalazine
CID 2939344
1-(Oxolan-2-ylmethoxy)-4-phenylphthalazine
CID 2946258
1-Butoxy-4-(4-ethoxyphenyl)phthalazine
CID 6407038

Frequently Asked Questions

What is the IUPAC name of 1,4-diethoxyphthalazine?
The IUPAC name of 1,4-diethoxyphthalazine (CID 595769) is 1,4-diethoxyphthalazine.
What is the SMILES notation for 1,4-diethoxyphthalazine?
The canonical SMILES for 1,4-diethoxyphthalazine is CCOc1nnc(OCC)c2ccccc12.
What is the InChIKey of 1,4-diethoxyphthalazine?
The InChIKey is OOTQDEUWWZEDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-15-11-9-7-5-6-8-10(9)12(14-13-11)16-4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 1,4-diethoxyphthalazine?
1,4-diethoxyphthalazine has a molecular weight of 218.26 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethoxyphthalazine is sourced from PubChem (CID 595769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).