2-(2-fluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

C9H12FN3O — CID 121199744

IUPAC2-(2-fluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1CCF)CCNC2
InChIInChI=1S/C9H12FN3O/c10-2-4-13-9(14)5-7-6-11-3-1-8(7)12-13/h5,11H,1-4,6H2
InChIKeyRSPNNABPEZSXGW-UHFFFAOYSA-N
MW197.21 g/mol
LogP-0.14
Rot. Bonds2

About 2-(2-fluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

2-(2-fluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (PubChem CID 121199744) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-(2-fluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
PubChem CID121199744
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name2-(2-fluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1CCF)CCNC2
InChIInChI=1S/C9H12FN3O/c10-2-4-13-9(14)5-7-6-11-3-1-8(7)12-13/h5,11H,1-4,6H2
InChIKeyRSPNNABPEZSXGW-UHFFFAOYSA-N
XLogP-0.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 2-(2-fluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (CID 121199744) is 2-(2-fluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-(2-fluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-(2-fluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is O=c1cc2c(nn1CCF)CCNC2.
What is the InChIKey of 2-(2-fluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The InChIKey is RSPNNABPEZSXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c10-2-4-13-9(14)5-7-6-11-3-1-8(7)12-13/h5,11H,1-4,6H2.
What are the key properties of 2-(2-fluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
2-(2-fluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one has a molecular weight of 197.21 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 121199744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).