7-ethyl-5-methoxyphthalazine

C11H12N2O — CID 156809915

IUPAC7-ethyl-5-methoxyphthalazine
SMILESCCc1cc(OC)c2cnncc2c1
InChIInChI=1S/C11H12N2O/c1-3-8-4-9-6-12-13-7-10(9)11(5-8)14-2/h4-7H,3H2,1-2H3
InChIKeySORBRTCGOCQGKC-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.20
Rot. Bonds2

About 7-ethyl-5-methoxyphthalazine

7-ethyl-5-methoxyphthalazine (PubChem CID 156809915) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 7-ethyl-5-methoxyphthalazine.

Molecular Properties

Compound Name7-ethyl-5-methoxyphthalazine
PubChem CID156809915
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name7-ethyl-5-methoxyphthalazine
SMILESCCc1cc(OC)c2cnncc2c1
InChIInChI=1S/C11H12N2O/c1-3-8-4-9-6-12-13-7-10(9)11(5-8)14-2/h4-7H,3H2,1-2H3
InChIKeySORBRTCGOCQGKC-UHFFFAOYSA-N
XLogP2.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-4-methoxy-1-methylindazole
CID 170574709
6-ethyl-8-methoxyquinoline
CID 137438692
ethane;5-ethyl-3-methoxy-2-methylpyridine
CID 143989915
2-(5-ethyl-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117349589
4-ethyl-2-methoxy-6-methylaniline
CID 131487767
2,5-diethyl-1-fluoro-3-methoxybenzene
CID 175600199
2,9-diethyl-4,7-dimethoxy-1,10-phenanthroline
CID 102487676
2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117352962
3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid
CID 117349160
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
(3-ethyl-7-methoxyquinolin-6-yl)boronic acid
CID 125469640
methyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate
CID 117388910

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-methoxyphthalazine?
The IUPAC name of 7-ethyl-5-methoxyphthalazine (CID 156809915) is 7-ethyl-5-methoxyphthalazine.
What is the SMILES notation for 7-ethyl-5-methoxyphthalazine?
The canonical SMILES for 7-ethyl-5-methoxyphthalazine is CCc1cc(OC)c2cnncc2c1.
What is the InChIKey of 7-ethyl-5-methoxyphthalazine?
The InChIKey is SORBRTCGOCQGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-3-8-4-9-6-12-13-7-10(9)11(5-8)14-2/h4-7H,3H2,1-2H3.
What are the key properties of 7-ethyl-5-methoxyphthalazine?
7-ethyl-5-methoxyphthalazine has a molecular weight of 188.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-methoxyphthalazine is sourced from PubChem (CID 156809915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).