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

C12H18F3N3O — CID 80507965

IUPAC[5,6-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine
SMILESCCc1nnc(OC(C)C(F)(F)F)c(CN)c1CC
InChIInChI=1S/C12H18F3N3O/c1-4-8-9(6-16)11(18-17-10(8)5-2)19-7(3)12(13,14)15/h7H,4-6,16H2,1-3H3
InChIKeyDHIJMAJPXDETJS-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.39
Rot. Bonds5

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

[5,6-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine (PubChem CID 80507965) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is [5,6-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[5,6-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine
PubChem CID80507965
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name[5,6-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine
SMILESCCc1nnc(OC(C)C(F)(F)F)c(CN)c1CC
InChIInChI=1S/C12H18F3N3O/c1-4-8-9(6-16)11(18-17-10(8)5-2)19-7(3)12(13,14)15/h7H,4-6,16H2,1-3H3
InChIKeyDHIJMAJPXDETJS-UHFFFAOYSA-N
XLogP2.39
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5,6-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine?
The IUPAC name of [5,6-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine (CID 80507965) is [5,6-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine.
What is the SMILES notation for [5,6-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine?
The canonical SMILES for [5,6-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine is CCc1nnc(OC(C)C(F)(F)F)c(CN)c1CC.
What is the InChIKey of [5,6-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine?
The InChIKey is DHIJMAJPXDETJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-4-8-9(6-16)11(18-17-10(8)5-2)19-7(3)12(13,14)15/h7H,4-6,16H2,1-3H3.
What are the key properties of [5,6-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine?
[5,6-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine has a molecular weight of 277.29 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine is sourced from PubChem (CID 80507965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).