4-chloro-6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine

C17H12ClF3N4O2 — CID 164625519

IUPAC4-chloro-6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESCOc1cccc(-c2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)c1
InChIInChI=1S/C17H12ClF3N4O2/c1-26-13-4-2-3-10(9-13)14-23-15(18)25-16(24-14)22-11-5-7-12(8-6-11)27-17(19,20)21/h2-9H,1H3,(H,22,23,24,25)
InChIKeyQAIHMRIMYJTJPI-UHFFFAOYSA-N
MW396.76 g/mol
LogP4.84
Rot. Bonds5

About 4-chloro-6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine

4-chloro-6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine (PubChem CID 164625519) has the molecular formula C17H12ClF3N4O2 and a molecular weight of 396.76 g/mol. Its IUPAC name is 4-chloro-6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
PubChem CID164625519
Molecular FormulaC17H12ClF3N4O2
Molecular Weight396.76 g/mol
Exact Mass396.06
IUPAC Name4-chloro-6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESCOc1cccc(-c2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)c1
InChIInChI=1S/C17H12ClF3N4O2/c1-26-13-4-2-3-10(9-13)14-23-15(18)25-16(24-14)22-11-5-7-12(8-6-11)27-17(19,20)21/h2-9H,1H3,(H,22,23,24,25)
InChIKeyQAIHMRIMYJTJPI-UHFFFAOYSA-N
XLogP4.84
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.76
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine (CID 164625519) is 4-chloro-6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine is COc1cccc(-c2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)c1.
What is the InChIKey of 4-chloro-6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is QAIHMRIMYJTJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N4O2/c1-26-13-4-2-3-10(9-13)14-23-15(18)25-16(24-14)22-11-5-7-12(8-6-11)27-17(19,20)21/h2-9H,1H3,(H,22,23,24,25).
What are the key properties of 4-chloro-6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
4-chloro-6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 396.76 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 164625519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).