3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine

C14H9F6N5O — CID 134555444

IUPAC3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cn1)C(F)(F)F
InChIInChI=1S/C14H9F6N5O/c1-7(13(15,16)17)26-11-5-2-8(6-21-11)9-3-4-10-22-23-12(14(18,19)20)25(10)24-9/h2-7H,1H3
InChIKeyNCHHRPNAUASYPY-UHFFFAOYSA-N
MW377.25 g/mol
LogP3.53
Rot. Bonds3

About 3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine

3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 134555444) has the molecular formula C14H9F6N5O and a molecular weight of 377.25 g/mol. Its IUPAC name is 3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID134555444
Molecular FormulaC14H9F6N5O
Molecular Weight377.25 g/mol
Exact Mass377.07
IUPAC Name3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cn1)C(F)(F)F
InChIInChI=1S/C14H9F6N5O/c1-7(13(15,16)17)26-11-5-2-8(6-21-11)9-3-4-10-22-23-12(14(18,19)20)25(10)24-9/h2-7H,1H3
InChIKeyNCHHRPNAUASYPY-UHFFFAOYSA-N
XLogP3.53
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 134555444) is 3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine is CC(Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cn1)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is NCHHRPNAUASYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N5O/c1-7(13(15,16)17)26-11-5-2-8(6-21-11)9-3-4-10-22-23-12(14(18,19)20)25(10)24-9/h2-7H,1H3.
What are the key properties of 3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 377.25 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 134555444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).