2-[4-[5-(2,6-difluorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid

C16H16F2N4O2 — CID 129075167

IUPAC2-[4-[5-(2,6-difluorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(c2cc(-c3c(F)cccc3F)cnn2)CC1
InChIInChI=1S/C16H16F2N4O2/c17-12-2-1-3-13(18)16(12)11-8-14(20-19-9-11)22-6-4-21(5-7-22)10-15(23)24/h1-3,8-9H,4-7,10H2,(H,23,24)
InChIKeyYLBFJOKWTYBTDR-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.63
Rot. Bonds4

About 2-[4-[5-(2,6-difluorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid

2-[4-[5-(2,6-difluorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid (PubChem CID 129075167) has the molecular formula C16H16F2N4O2 and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-[4-[5-(2,6-difluorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[5-(2,6-difluorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid
PubChem CID129075167
Molecular FormulaC16H16F2N4O2
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name2-[4-[5-(2,6-difluorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(c2cc(-c3c(F)cccc3F)cnn2)CC1
InChIInChI=1S/C16H16F2N4O2/c17-12-2-1-3-13(18)16(12)11-8-14(20-19-9-11)22-6-4-21(5-7-22)10-15(23)24/h1-3,8-9H,4-7,10H2,(H,23,24)
InChIKeyYLBFJOKWTYBTDR-UHFFFAOYSA-N
XLogP1.63
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(2,6-difluorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[5-(2,6-difluorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid (CID 129075167) is 2-[4-[5-(2,6-difluorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[5-(2,6-difluorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[5-(2,6-difluorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(c2cc(-c3c(F)cccc3F)cnn2)CC1.
What is the InChIKey of 2-[4-[5-(2,6-difluorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid?
The InChIKey is YLBFJOKWTYBTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O2/c17-12-2-1-3-13(18)16(12)11-8-14(20-19-9-11)22-6-4-21(5-7-22)10-15(23)24/h1-3,8-9H,4-7,10H2,(H,23,24).
What are the key properties of 2-[4-[5-(2,6-difluorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid?
2-[4-[5-(2,6-difluorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid has a molecular weight of 334.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(2,6-difluorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 129075167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).