4-ethyl-5-methoxy-2-methylpyridazin-3-one

C8H12N2O2 — CID 146614849

IUPAC4-ethyl-5-methoxy-2-methylpyridazin-3-one
SMILESCCc1c(OC)cnn(C)c1=O
InChIInChI=1S/C8H12N2O2/c1-4-6-7(12-3)5-9-10(2)8(6)11/h5H,4H2,1-3H3
InChIKeyNMJNXYHONYNUAM-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.35
Rot. Bonds2

About 4-ethyl-5-methoxy-2-methylpyridazin-3-one

4-ethyl-5-methoxy-2-methylpyridazin-3-one (PubChem CID 146614849) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-ethyl-5-methoxy-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-ethyl-5-methoxy-2-methylpyridazin-3-one
PubChem CID146614849
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-ethyl-5-methoxy-2-methylpyridazin-3-one
SMILESCCc1c(OC)cnn(C)c1=O
InChIInChI=1S/C8H12N2O2/c1-4-6-7(12-3)5-9-10(2)8(6)11/h5H,4H2,1-3H3
InChIKeyNMJNXYHONYNUAM-UHFFFAOYSA-N
XLogP0.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methoxy-2-methylpyridazin-3-one?
The IUPAC name of 4-ethyl-5-methoxy-2-methylpyridazin-3-one (CID 146614849) is 4-ethyl-5-methoxy-2-methylpyridazin-3-one.
What is the SMILES notation for 4-ethyl-5-methoxy-2-methylpyridazin-3-one?
The canonical SMILES for 4-ethyl-5-methoxy-2-methylpyridazin-3-one is CCc1c(OC)cnn(C)c1=O.
What is the InChIKey of 4-ethyl-5-methoxy-2-methylpyridazin-3-one?
The InChIKey is NMJNXYHONYNUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-6-7(12-3)5-9-10(2)8(6)11/h5H,4H2,1-3H3.
What are the key properties of 4-ethyl-5-methoxy-2-methylpyridazin-3-one?
4-ethyl-5-methoxy-2-methylpyridazin-3-one has a molecular weight of 168.20 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methoxy-2-methylpyridazin-3-one is sourced from PubChem (CID 146614849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).