4-bromo-N-methyl-6-(trifluoromethyl)pyridazin-3-amine

C6H5BrF3N3 — CID 90430954

IUPAC4-bromo-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
SMILESCNc1nnc(C(F)(F)F)cc1Br
InChIInChI=1S/C6H5BrF3N3/c1-11-5-3(7)2-4(12-13-5)6(8,9)10/h2H,1H3,(H,11,13)
InChIKeyIKGFTTXBDSFHEL-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.30
Rot. Bonds1

About 4-bromo-N-methyl-6-(trifluoromethyl)pyridazin-3-amine

4-bromo-N-methyl-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 90430954) has the molecular formula C6H5BrF3N3 and a molecular weight of 256.02 g/mol. Its IUPAC name is 4-bromo-N-methyl-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-bromo-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID90430954
Molecular FormulaC6H5BrF3N3
Molecular Weight256.02 g/mol
Exact Mass254.96
IUPAC Name4-bromo-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
SMILESCNc1nnc(C(F)(F)F)cc1Br
InChIInChI=1S/C6H5BrF3N3/c1-11-5-3(7)2-4(12-13-5)6(8,9)10/h2H,1H3,(H,11,13)
InChIKeyIKGFTTXBDSFHEL-UHFFFAOYSA-N
XLogP2.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of 4-bromo-N-methyl-6-(trifluoromethyl)pyridazin-3-amine (CID 90430954) is 4-bromo-N-methyl-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for 4-bromo-N-methyl-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for 4-bromo-N-methyl-6-(trifluoromethyl)pyridazin-3-amine is CNc1nnc(C(F)(F)F)cc1Br.
What is the InChIKey of 4-bromo-N-methyl-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is IKGFTTXBDSFHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF3N3/c1-11-5-3(7)2-4(12-13-5)6(8,9)10/h2H,1H3,(H,11,13).
What are the key properties of 4-bromo-N-methyl-6-(trifluoromethyl)pyridazin-3-amine?
4-bromo-N-methyl-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 256.02 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 90430954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).