2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridazin-3-one

C14H16N2O2 — CID 55126638

IUPAC2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridazin-3-one
SMILESCc1ccc(C(O)Cn2ncccc2=O)cc1C
InChIInChI=1S/C14H16N2O2/c1-10-5-6-12(8-11(10)2)13(17)9-16-14(18)4-3-7-15-16/h3-8,13,17H,9H2,1-2H3
InChIKeySVRHTIMKDZVSFX-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.59
Rot. Bonds3

About 2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridazin-3-one

2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridazin-3-one (PubChem CID 55126638) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridazin-3-one
PubChem CID55126638
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridazin-3-one
SMILESCc1ccc(C(O)Cn2ncccc2=O)cc1C
InChIInChI=1S/C14H16N2O2/c1-10-5-6-12(8-11(10)2)13(17)9-16-14(18)4-3-7-15-16/h3-8,13,17H,9H2,1-2H3
InChIKeySVRHTIMKDZVSFX-UHFFFAOYSA-N
XLogP1.59
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridazin-3-one (CID 55126638) is 2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridazin-3-one is Cc1ccc(C(O)Cn2ncccc2=O)cc1C.
What is the InChIKey of 2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridazin-3-one?
The InChIKey is SVRHTIMKDZVSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-5-6-12(8-11(10)2)13(17)9-16-14(18)4-3-7-15-16/h3-8,13,17H,9H2,1-2H3.
What are the key properties of 2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridazin-3-one?
2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridazin-3-one has a molecular weight of 244.29 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridazin-3-one is sourced from PubChem (CID 55126638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).