ethane;5-methyl-6-(trifluoromethyl)pyridazin-3-amine

C8H12F3N3 — CID 165132602

IUPACethane;5-methyl-6-(trifluoromethyl)pyridazin-3-amine
SMILESCC.Cc1cc(N)nnc1C(F)(F)F
InChIInChI=1S/C6H6F3N3.C2H6/c1-3-2-4(10)11-12-5(3)6(7,8)9;1-2/h2H,1H3,(H2,10,11);1-2H3
InChIKeyHPXXPOWFZVXPKQ-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.41
Rot. Bonds

About ethane;5-methyl-6-(trifluoromethyl)pyridazin-3-amine

ethane;5-methyl-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 165132602) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is ethane;5-methyl-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound Nameethane;5-methyl-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID165132602
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Nameethane;5-methyl-6-(trifluoromethyl)pyridazin-3-amine
SMILESCC.Cc1cc(N)nnc1C(F)(F)F
InChIInChI=1S/C6H6F3N3.C2H6/c1-3-2-4(10)11-12-5(3)6(7,8)9;1-2/h2H,1H3,(H2,10,11);1-2H3
InChIKeyHPXXPOWFZVXPKQ-UHFFFAOYSA-N
XLogP2.41
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of ethane;5-methyl-6-(trifluoromethyl)pyridazin-3-amine (CID 165132602) is ethane;5-methyl-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for ethane;5-methyl-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for ethane;5-methyl-6-(trifluoromethyl)pyridazin-3-amine is CC.Cc1cc(N)nnc1C(F)(F)F.
What is the InChIKey of ethane;5-methyl-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is HPXXPOWFZVXPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3.C2H6/c1-3-2-4(10)11-12-5(3)6(7,8)9;1-2/h2H,1H3,(H2,10,11);1-2H3.
What are the key properties of ethane;5-methyl-6-(trifluoromethyl)pyridazin-3-amine?
ethane;5-methyl-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 207.20 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 165132602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).