[5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine

C10H14F3N3O — CID 66274534

IUPAC[5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine
SMILESCc1nnc(OC(C)C(F)(F)F)c(CN)c1C
InChIInChI=1S/C10H14F3N3O/c1-5-6(2)15-16-9(8(5)4-14)17-7(3)10(11,12)13/h7H,4,14H2,1-3H3
InChIKeyRPUALNYUARSQPL-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.88
Rot. Bonds3

About [5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine

[5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine (PubChem CID 66274534) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is [5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine
PubChem CID66274534
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name[5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine
SMILESCc1nnc(OC(C)C(F)(F)F)c(CN)c1C
InChIInChI=1S/C10H14F3N3O/c1-5-6(2)15-16-9(8(5)4-14)17-7(3)10(11,12)13/h7H,4,14H2,1-3H3
InChIKeyRPUALNYUARSQPL-UHFFFAOYSA-N
XLogP1.88
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine?
The IUPAC name of [5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine (CID 66274534) is [5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine.
What is the SMILES notation for [5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine?
The canonical SMILES for [5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine is Cc1nnc(OC(C)C(F)(F)F)c(CN)c1C.
What is the InChIKey of [5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine?
The InChIKey is RPUALNYUARSQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-5-6(2)15-16-9(8(5)4-14)17-7(3)10(11,12)13/h7H,4,14H2,1-3H3.
What are the key properties of [5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine?
[5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine has a molecular weight of 249.24 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine is sourced from PubChem (CID 66274534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).