3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one

Name: 3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₇H₈F₂N₂O — CID 135195986

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one

SMILESCCc1cc(C(F)F)n[nH]c1=O

InChIInChI=1S/C7H8F2N2O/c1-2-4-3-5(6(8)9)10-11-7(4)12/h3,6H,2H2,1H3,(H,11,12)

InChIKeyJCPRPUYWNOQIJT-UHFFFAOYSA-N

MW174.15 g/mol

LogP1.27

Rot. Bonds2

About 3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one

3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one (PubChem CID 135195986) has the molecular formula C₇H₈F₂N₂O and a molecular weight of 174.15 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name	3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one
PubChem CID	135195986
Molecular Formula	C₇H₈F₂N₂O
Molecular Weight	174.15 g/mol
Exact Mass	174.06
IUPAC Name	3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one
SMILES	CCc1cc(C(F)F)n[nH]c1=O
InChI	InChI=1S/C7H8F2N2O/c1-2-4-3-5(6(8)9)10-11-7(4)12/h3,6H,2H2,1H3,(H,11,12)
InChIKey	JCPRPUYWNOQIJT-UHFFFAOYSA-N
XLogP	1.27
TPSA	45.75 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	2
Heavy Atoms	12
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	174.15
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one?

The IUPAC name of 3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one (CID 135195986) is 3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one.

What is the SMILES notation for 3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one?

The canonical SMILES for 3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one is CCc1cc(C(F)F)n[nH]c1=O.

What is the InChIKey of 3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one?

The InChIKey is JCPRPUYWNOQIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c1-2-4-3-5(6(8)9)10-11-7(4)12/h3,6H,2H2,1H3,(H,11,12).

What are the key properties of 3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one?

3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one has a molecular weight of 174.15 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one is sourced from PubChem (CID 135195986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 135195986 — identifiers, structure, computed properties (public domain)

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