2-[1-[6-(trifluoromethyl)pyridazin-4-yl]azetidin-3-yl]acetic acid

C10H10F3N3O2 — CID 171808816

IUPAC2-[1-[6-(trifluoromethyl)pyridazin-4-yl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(c2cnnc(C(F)(F)F)c2)C1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)8-2-7(3-14-15-8)16-4-6(5-16)1-9(17)18/h2-3,6H,1,4-5H2,(H,17,18)
InChIKeySIBZFBFZXOAHMQ-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.41
Rot. Bonds3

About 2-[1-[6-(trifluoromethyl)pyridazin-4-yl]azetidin-3-yl]acetic acid

2-[1-[6-(trifluoromethyl)pyridazin-4-yl]azetidin-3-yl]acetic acid (PubChem CID 171808816) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 2-[1-[6-(trifluoromethyl)pyridazin-4-yl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[6-(trifluoromethyl)pyridazin-4-yl]azetidin-3-yl]acetic acid
PubChem CID171808816
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name2-[1-[6-(trifluoromethyl)pyridazin-4-yl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(c2cnnc(C(F)(F)F)c2)C1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)8-2-7(3-14-15-8)16-4-6(5-16)1-9(17)18/h2-3,6H,1,4-5H2,(H,17,18)
InChIKeySIBZFBFZXOAHMQ-UHFFFAOYSA-N
XLogP1.41
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid
CID 64616049
2-[1-(6-fluoro-3-pyridinyl)azetidin-3-yl]acetic acid
CID 140830590
2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]acetic acid
CID 114449392
2-(1-pyridin-4-ylazetidin-3-yl)acetic acid
CID 64616240
2-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid
CID 79868711
2-[1-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]acetic acid
CID 175435462
2-(1-cinnolin-4-ylazetidin-3-yl)acetic acid
CID 64618649
1-pyridin-2-yl-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone
CID 175711179
2-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]acetic acid
CID 66319441
2-[1-[5-[2-[di(propan-2-yl)amino]ethyl]-3-pyridinyl]azetidin-3-yl]acetic acid
CID 154966168
1-[6-(trifluoromethyl)pyridazin-4-yl]ethanone
CID 155216321
methyl 2-[1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]acetate
CID 175435436

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(trifluoromethyl)pyridazin-4-yl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[6-(trifluoromethyl)pyridazin-4-yl]azetidin-3-yl]acetic acid (CID 171808816) is 2-[1-[6-(trifluoromethyl)pyridazin-4-yl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[6-(trifluoromethyl)pyridazin-4-yl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[6-(trifluoromethyl)pyridazin-4-yl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(c2cnnc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-[1-[6-(trifluoromethyl)pyridazin-4-yl]azetidin-3-yl]acetic acid?
The InChIKey is SIBZFBFZXOAHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c11-10(12,13)8-2-7(3-14-15-8)16-4-6(5-16)1-9(17)18/h2-3,6H,1,4-5H2,(H,17,18).
What are the key properties of 2-[1-[6-(trifluoromethyl)pyridazin-4-yl]azetidin-3-yl]acetic acid?
2-[1-[6-(trifluoromethyl)pyridazin-4-yl]azetidin-3-yl]acetic acid has a molecular weight of 261.20 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(trifluoromethyl)pyridazin-4-yl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 171808816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).