2-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one

C14H17FN6O — CID 126913359

IUPAC2-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCN1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C14H17FN6O/c15-12-10-16-14(17-11-12)20-7-4-19(5-8-20)6-9-21-13(22)2-1-3-18-21/h1-3,10-11H,4-9H2
InChIKeyYVSGQAHDKQEJCD-UHFFFAOYSA-N
MW304.33 g/mol
LogP-0.01
Rot. Bonds4

About 2-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one

2-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126913359) has the molecular formula C14H17FN6O and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126913359
Molecular FormulaC14H17FN6O
Molecular Weight304.33 g/mol
Exact Mass304.14
IUPAC Name2-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCN1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C14H17FN6O/c15-12-10-16-14(17-11-12)20-7-4-19(5-8-20)6-9-21-13(22)2-1-3-18-21/h1-3,10-11H,4-9H2
InChIKeyYVSGQAHDKQEJCD-UHFFFAOYSA-N
XLogP-0.01
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126913359) is 2-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one is O=c1cccnn1CCN1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 2-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is YVSGQAHDKQEJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN6O/c15-12-10-16-14(17-11-12)20-7-4-19(5-8-20)6-9-21-13(22)2-1-3-18-21/h1-3,10-11H,4-9H2.
What are the key properties of 2-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
2-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 304.33 g/mol, XLogP of -0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126913359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).