6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine

C12H9ClF3N3 — CID 60726264

IUPAC6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine
SMILESFC(F)(F)c1ccc(CNc2ccc(Cl)nn2)cc1
InChIInChI=1S/C12H9ClF3N3/c13-10-5-6-11(19-18-10)17-7-8-1-3-9(4-2-8)12(14,15)16/h1-6H,7H2,(H,17,19)
InChIKeyZGNFWUQVTJHMRX-UHFFFAOYSA-N
MW287.67 g/mol
LogP3.76
Rot. Bonds3

About 6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine

6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine (PubChem CID 60726264) has the molecular formula C12H9ClF3N3 and a molecular weight of 287.67 g/mol. Its IUPAC name is 6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine
PubChem CID60726264
Molecular FormulaC12H9ClF3N3
Molecular Weight287.67 g/mol
Exact Mass287.04
IUPAC Name6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine
SMILESFC(F)(F)c1ccc(CNc2ccc(Cl)nn2)cc1
InChIInChI=1S/C12H9ClF3N3/c13-10-5-6-11(19-18-10)17-7-8-1-3-9(4-2-8)12(14,15)16/h1-6H,7H2,(H,17,19)
InChIKeyZGNFWUQVTJHMRX-UHFFFAOYSA-N
XLogP3.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine (CID 60726264) is 6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine is FC(F)(F)c1ccc(CNc2ccc(Cl)nn2)cc1.
What is the InChIKey of 6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine?
The InChIKey is ZGNFWUQVTJHMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3/c13-10-5-6-11(19-18-10)17-7-8-1-3-9(4-2-8)12(14,15)16/h1-6H,7H2,(H,17,19).
What are the key properties of 6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine?
6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine has a molecular weight of 287.67 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine is sourced from PubChem (CID 60726264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).