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

C19H15ClF3N3 — CID 25022970

IUPACN-[(4-chlorophenyl)methyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)c(NCc2ccc(Cl)cc2)nn1
InChIInChI=1S/C19H15ClF3N3/c1-12-9-17(14-3-2-4-15(10-14)19(21,22)23)18(26-25-12)24-11-13-5-7-16(20)8-6-13/h2-10H,11H2,1H3,(H,24,26)
InChIKeyQQIVXVYXIHMVHS-UHFFFAOYSA-N
MW377.80 g/mol
LogP5.74
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (PubChem CID 25022970) has the molecular formula C19H15ClF3N3 and a molecular weight of 377.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
PubChem CID25022970
Molecular FormulaC19H15ClF3N3
Molecular Weight377.80 g/mol
Exact Mass377.09
IUPAC NameN-[(4-chlorophenyl)methyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)c(NCc2ccc(Cl)cc2)nn1
InChIInChI=1S/C19H15ClF3N3/c1-12-9-17(14-3-2-4-15(10-14)19(21,22)23)18(26-25-12)24-11-13-5-7-16(20)8-6-13/h2-10H,11H2,1H3,(H,24,26)
InChIKeyQQIVXVYXIHMVHS-UHFFFAOYSA-N
XLogP5.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.80
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (CID 25022970) is N-[(4-chlorophenyl)methyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is Cc1cc(-c2cccc(C(F)(F)F)c2)c(NCc2ccc(Cl)cc2)nn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The InChIKey is QQIVXVYXIHMVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3/c1-12-9-17(14-3-2-4-15(10-14)19(21,22)23)18(26-25-12)24-11-13-5-7-16(20)8-6-13/h2-10H,11H2,1H3,(H,24,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
N-[(4-chlorophenyl)methyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine has a molecular weight of 377.80 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is sourced from PubChem (CID 25022970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).