6-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

C7H8F3N3 — CID 61311761

IUPAC6-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCc1ccc(NCC(F)(F)F)nn1
InChIInChI=1S/C7H8F3N3/c1-5-2-3-6(13-12-5)11-4-7(8,9)10/h2-3H,4H2,1H3,(H,11,13)
InChIKeyVGYOSZVBRNXWBX-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.76
Rot. Bonds2

About 6-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

6-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (PubChem CID 61311761) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 6-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
PubChem CID61311761
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name6-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCc1ccc(NCC(F)(F)F)nn1
InChIInChI=1S/C7H8F3N3/c1-5-2-3-6(13-12-5)11-4-7(8,9)10/h2-3H,4H2,1H3,(H,11,13)
InChIKeyVGYOSZVBRNXWBX-UHFFFAOYSA-N
XLogP1.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The IUPAC name of 6-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (CID 61311761) is 6-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.
What is the SMILES notation for 6-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The canonical SMILES for 6-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is Cc1ccc(NCC(F)(F)F)nn1.
What is the InChIKey of 6-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The InChIKey is VGYOSZVBRNXWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c1-5-2-3-6(13-12-5)11-4-7(8,9)10/h2-3H,4H2,1H3,(H,11,13).
What are the key properties of 6-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
6-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine has a molecular weight of 191.16 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is sourced from PubChem (CID 61311761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).