3-(difluoromethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine

C14H9F6N5O — CID 155364632

IUPAC3-(difluoromethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESC[C@@H](Oc1ncc(-c2ccc3nnc(C(F)F)n3n2)cc1F)C(F)(F)F
InChIInChI=1S/C14H9F6N5O/c1-6(14(18,19)20)26-13-8(15)4-7(5-21-13)9-2-3-10-22-23-12(11(16)17)25(10)24-9/h2-6,11H,1H3/t6-/m1/s1
InChIKeyDSGOAYNOYIHHFJ-ZCFIWIBFSA-N
MW377.25 g/mol
LogP3.59
Rot. Bonds4

About 3-(difluoromethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine

3-(difluoromethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 155364632) has the molecular formula C14H9F6N5O and a molecular weight of 377.25 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(difluoromethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID155364632
Molecular FormulaC14H9F6N5O
Molecular Weight377.25 g/mol
Exact Mass377.07
IUPAC Name3-(difluoromethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESC[C@@H](Oc1ncc(-c2ccc3nnc(C(F)F)n3n2)cc1F)C(F)(F)F
InChIInChI=1S/C14H9F6N5O/c1-6(14(18,19)20)26-13-8(15)4-7(5-21-13)9-2-3-10-22-23-12(11(16)17)25(10)24-9/h2-6,11H,1H3/t6-/m1/s1
InChIKeyDSGOAYNOYIHHFJ-ZCFIWIBFSA-N
XLogP3.59
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(difluoromethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 155364632) is 3-(difluoromethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(difluoromethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(difluoromethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine is C[C@@H](Oc1ncc(-c2ccc3nnc(C(F)F)n3n2)cc1F)C(F)(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is DSGOAYNOYIHHFJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C14H9F6N5O/c1-6(14(18,19)20)26-13-8(15)4-7(5-21-13)9-2-3-10-22-23-12(11(16)17)25(10)24-9/h2-6,11H,1H3/t6-/m1/s1.
What are the key properties of 3-(difluoromethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-(difluoromethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 377.25 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 155364632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).