3-propan-2-yl-6-[[6-(trifluoromethoxy)-3-pyridinyl]methoxy]pyridazine

C14H14F3N3O2 — CID 146539507

IUPAC3-propan-2-yl-6-[[6-(trifluoromethoxy)-3-pyridinyl]methoxy]pyridazine
SMILESCC(C)c1ccc(OCc2ccc(OC(F)(F)F)nc2)nn1
InChIInChI=1S/C14H14F3N3O2/c1-9(2)11-4-6-13(20-19-11)21-8-10-3-5-12(18-7-10)22-14(15,16)17/h3-7,9H,8H2,1-2H3
InChIKeyMBNUZGUUJDKLRH-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.47
Rot. Bonds5

About 3-propan-2-yl-6-[[6-(trifluoromethoxy)-3-pyridinyl]methoxy]pyridazine

3-propan-2-yl-6-[[6-(trifluoromethoxy)-3-pyridinyl]methoxy]pyridazine (PubChem CID 146539507) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 3-propan-2-yl-6-[[6-(trifluoromethoxy)-3-pyridinyl]methoxy]pyridazine.

Molecular Properties

Compound Name3-propan-2-yl-6-[[6-(trifluoromethoxy)-3-pyridinyl]methoxy]pyridazine
PubChem CID146539507
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name3-propan-2-yl-6-[[6-(trifluoromethoxy)-3-pyridinyl]methoxy]pyridazine
SMILESCC(C)c1ccc(OCc2ccc(OC(F)(F)F)nc2)nn1
InChIInChI=1S/C14H14F3N3O2/c1-9(2)11-4-6-13(20-19-11)21-8-10-3-5-12(18-7-10)22-14(15,16)17/h3-7,9H,8H2,1-2H3
InChIKeyMBNUZGUUJDKLRH-UHFFFAOYSA-N
XLogP3.47
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-[[6-(trifluoromethoxy)-3-pyridinyl]methoxy]pyridazine?
The IUPAC name of 3-propan-2-yl-6-[[6-(trifluoromethoxy)-3-pyridinyl]methoxy]pyridazine (CID 146539507) is 3-propan-2-yl-6-[[6-(trifluoromethoxy)-3-pyridinyl]methoxy]pyridazine.
What is the SMILES notation for 3-propan-2-yl-6-[[6-(trifluoromethoxy)-3-pyridinyl]methoxy]pyridazine?
The canonical SMILES for 3-propan-2-yl-6-[[6-(trifluoromethoxy)-3-pyridinyl]methoxy]pyridazine is CC(C)c1ccc(OCc2ccc(OC(F)(F)F)nc2)nn1.
What is the InChIKey of 3-propan-2-yl-6-[[6-(trifluoromethoxy)-3-pyridinyl]methoxy]pyridazine?
The InChIKey is MBNUZGUUJDKLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-9(2)11-4-6-13(20-19-11)21-8-10-3-5-12(18-7-10)22-14(15,16)17/h3-7,9H,8H2,1-2H3.
What are the key properties of 3-propan-2-yl-6-[[6-(trifluoromethoxy)-3-pyridinyl]methoxy]pyridazine?
3-propan-2-yl-6-[[6-(trifluoromethoxy)-3-pyridinyl]methoxy]pyridazine has a molecular weight of 313.28 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-[[6-(trifluoromethoxy)-3-pyridinyl]methoxy]pyridazine is sourced from PubChem (CID 146539507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).