2-ethyl-5-(4-hydroxyphenyl)-4,6-dimethylpyridazin-3-one

C14H16N2O2 — CID 123619987

IUPAC2-ethyl-5-(4-hydroxyphenyl)-4,6-dimethylpyridazin-3-one
SMILESCCn1nc(C)c(-c2ccc(O)cc2)c(C)c1=O
InChIInChI=1S/C14H16N2O2/c1-4-16-14(18)9(2)13(10(3)15-16)11-5-7-12(17)8-6-11/h5-8,17H,4H2,1-3H3
InChIKeyWPHUUXDTTCRESG-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.25
Rot. Bonds2

About 2-ethyl-5-(4-hydroxyphenyl)-4,6-dimethylpyridazin-3-one

2-ethyl-5-(4-hydroxyphenyl)-4,6-dimethylpyridazin-3-one (PubChem CID 123619987) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-ethyl-5-(4-hydroxyphenyl)-4,6-dimethylpyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-5-(4-hydroxyphenyl)-4,6-dimethylpyridazin-3-one
PubChem CID123619987
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-ethyl-5-(4-hydroxyphenyl)-4,6-dimethylpyridazin-3-one
SMILESCCn1nc(C)c(-c2ccc(O)cc2)c(C)c1=O
InChIInChI=1S/C14H16N2O2/c1-4-16-14(18)9(2)13(10(3)15-16)11-5-7-12(17)8-6-11/h5-8,17H,4H2,1-3H3
InChIKeyWPHUUXDTTCRESG-UHFFFAOYSA-N
XLogP2.25
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-hydroxyphenyl)-4,6-dimethylpyridazin-3-one?
The IUPAC name of 2-ethyl-5-(4-hydroxyphenyl)-4,6-dimethylpyridazin-3-one (CID 123619987) is 2-ethyl-5-(4-hydroxyphenyl)-4,6-dimethylpyridazin-3-one.
What is the SMILES notation for 2-ethyl-5-(4-hydroxyphenyl)-4,6-dimethylpyridazin-3-one?
The canonical SMILES for 2-ethyl-5-(4-hydroxyphenyl)-4,6-dimethylpyridazin-3-one is CCn1nc(C)c(-c2ccc(O)cc2)c(C)c1=O.
What is the InChIKey of 2-ethyl-5-(4-hydroxyphenyl)-4,6-dimethylpyridazin-3-one?
The InChIKey is WPHUUXDTTCRESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-4-16-14(18)9(2)13(10(3)15-16)11-5-7-12(17)8-6-11/h5-8,17H,4H2,1-3H3.
What are the key properties of 2-ethyl-5-(4-hydroxyphenyl)-4,6-dimethylpyridazin-3-one?
2-ethyl-5-(4-hydroxyphenyl)-4,6-dimethylpyridazin-3-one has a molecular weight of 244.29 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-hydroxyphenyl)-4,6-dimethylpyridazin-3-one is sourced from PubChem (CID 123619987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).