N-[(3,5-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine

C14H14F3N3 — CID 138043417

IUPACN-[(3,5-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCc1cc(C)cc(CNc2ccc(C(F)(F)F)nn2)c1
InChIInChI=1S/C14H14F3N3/c1-9-5-10(2)7-11(6-9)8-18-13-4-3-12(19-20-13)14(15,16)17/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyYFNHHVMKSMWPMB-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.72
Rot. Bonds3

About N-[(3,5-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine

N-[(3,5-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 138043417) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID138043417
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCc1cc(C)cc(CNc2ccc(C(F)(F)F)nn2)c1
InChIInChI=1S/C14H14F3N3/c1-9-5-10(2)7-11(6-9)8-18-13-4-3-12(19-20-13)14(15,16)17/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyYFNHHVMKSMWPMB-UHFFFAOYSA-N
XLogP3.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,5-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine (CID 138043417) is N-[(3,5-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine is Cc1cc(C)cc(CNc2ccc(C(F)(F)F)nn2)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is YFNHHVMKSMWPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-9-5-10(2)7-11(6-9)8-18-13-4-3-12(19-20-13)14(15,16)17/h3-7H,8H2,1-2H3,(H,18,20).
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[(3,5-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 281.28 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 138043417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).