6-[3-propan-2-yloxy-4-(trifluoromethyl)phenyl]pyridazin-3-amine

C14H14F3N3O — CID 178030240

IUPAC6-[3-propan-2-yloxy-4-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCC(C)Oc1cc(-c2ccc(N)nn2)ccc1C(F)(F)F
InChIInChI=1S/C14H14F3N3O/c1-8(2)21-12-7-9(3-4-10(12)14(15,16)17)11-5-6-13(18)20-19-11/h3-8H,1-2H3,(H2,18,20)
InChIKeyUXORFVKJAIIUQE-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.53
Rot. Bonds3

About 6-[3-propan-2-yloxy-4-(trifluoromethyl)phenyl]pyridazin-3-amine

6-[3-propan-2-yloxy-4-(trifluoromethyl)phenyl]pyridazin-3-amine (PubChem CID 178030240) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 6-[3-propan-2-yloxy-4-(trifluoromethyl)phenyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[3-propan-2-yloxy-4-(trifluoromethyl)phenyl]pyridazin-3-amine
PubChem CID178030240
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name6-[3-propan-2-yloxy-4-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCC(C)Oc1cc(-c2ccc(N)nn2)ccc1C(F)(F)F
InChIInChI=1S/C14H14F3N3O/c1-8(2)21-12-7-9(3-4-10(12)14(15,16)17)11-5-6-13(18)20-19-11/h3-8H,1-2H3,(H2,18,20)
InChIKeyUXORFVKJAIIUQE-UHFFFAOYSA-N
XLogP3.53
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-propan-2-yloxy-4-(trifluoromethyl)phenyl]pyridazin-3-amine?
The IUPAC name of 6-[3-propan-2-yloxy-4-(trifluoromethyl)phenyl]pyridazin-3-amine (CID 178030240) is 6-[3-propan-2-yloxy-4-(trifluoromethyl)phenyl]pyridazin-3-amine.
What is the SMILES notation for 6-[3-propan-2-yloxy-4-(trifluoromethyl)phenyl]pyridazin-3-amine?
The canonical SMILES for 6-[3-propan-2-yloxy-4-(trifluoromethyl)phenyl]pyridazin-3-amine is CC(C)Oc1cc(-c2ccc(N)nn2)ccc1C(F)(F)F.
What is the InChIKey of 6-[3-propan-2-yloxy-4-(trifluoromethyl)phenyl]pyridazin-3-amine?
The InChIKey is UXORFVKJAIIUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-8(2)21-12-7-9(3-4-10(12)14(15,16)17)11-5-6-13(18)20-19-11/h3-8H,1-2H3,(H2,18,20).
What are the key properties of 6-[3-propan-2-yloxy-4-(trifluoromethyl)phenyl]pyridazin-3-amine?
6-[3-propan-2-yloxy-4-(trifluoromethyl)phenyl]pyridazin-3-amine has a molecular weight of 297.28 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-propan-2-yloxy-4-(trifluoromethyl)phenyl]pyridazin-3-amine is sourced from PubChem (CID 178030240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).