[6-methoxy-5-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine

C8H10F3N3O2 — CID 58137371

IUPAC[6-methoxy-5-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine
SMILESCOc1nnc(CN)cc1OCC(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c1-15-7-6(16-4-8(9,10)11)2-5(3-12)13-14-7/h2H,3-4,12H2,1H3
InChIKeyPRURQUBUQYJEEH-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.88
Rot. Bonds4

About [6-methoxy-5-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine

[6-methoxy-5-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine (PubChem CID 58137371) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is [6-methoxy-5-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine.

Molecular Properties

Compound Name[6-methoxy-5-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine
PubChem CID58137371
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name[6-methoxy-5-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine
SMILESCOc1nnc(CN)cc1OCC(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c1-15-7-6(16-4-8(9,10)11)2-5(3-12)13-14-7/h2H,3-4,12H2,1H3
InChIKeyPRURQUBUQYJEEH-UHFFFAOYSA-N
XLogP0.88
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-methoxy-5-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine?
The IUPAC name of [6-methoxy-5-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine (CID 58137371) is [6-methoxy-5-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine.
What is the SMILES notation for [6-methoxy-5-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine?
The canonical SMILES for [6-methoxy-5-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine is COc1nnc(CN)cc1OCC(F)(F)F.
What is the InChIKey of [6-methoxy-5-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine?
The InChIKey is PRURQUBUQYJEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-15-7-6(16-4-8(9,10)11)2-5(3-12)13-14-7/h2H,3-4,12H2,1H3.
What are the key properties of [6-methoxy-5-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine?
[6-methoxy-5-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine has a molecular weight of 237.18 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-5-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine is sourced from PubChem (CID 58137371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).