4-methyl-6-[1-(3-phenylprop-2-enyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

C23H19F3N6 — CID 131743510

About 4-methyl-6-[1-(3-phenylprop-2-enyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

4-methyl-6-[1-(3-phenylprop-2-enyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 131743510) has the molecular formula C23H19F3N6 and a molecular weight of 436.44 g/mol. Its IUPAC name is 4-methyl-6-[1-(3-phenylprop-2-enyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 4-methyl-6-[1-(3-phenylprop-2-enyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
• PubChem CID: 131743510
• Molecular Formula: C23H19F3N6
• Molecular Weight: 436.44 g/mol
• Exact Mass: 436.16
• IUPAC Name: 4-methyl-6-[1-(3-phenylprop-2-enyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
• SMILES: Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cn(CC=Cc3ccccc3)nn2)c1
• InChI: InChI=1S/C23H19F3N6/c1-16-12-19(20-15-32(31-30-20)11-5-8-17-6-3-2-4-7-17)28-22(13-16)29-21-14-18(9-10-27-21)23(24,25)26/h2-10,12-15H,11H2,1H3,(H,27,28,29)
• InChIKey: FOUWKCJQYWSIAZ-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.44
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[1-(3-phenylprop-2-enyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?

The IUPAC name of 4-methyl-6-[1-(3-phenylprop-2-enyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (CID 131743510) is 4-methyl-6-[1-(3-phenylprop-2-enyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.

What is the SMILES notation for 4-methyl-6-[1-(3-phenylprop-2-enyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?

The canonical SMILES for 4-methyl-6-[1-(3-phenylprop-2-enyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cn(CC=Cc3ccccc3)nn2)c1.

What is the InChIKey of 4-methyl-6-[1-(3-phenylprop-2-enyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?

The InChIKey is FOUWKCJQYWSIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6/c1-16-12-19(20-15-32(31-30-20)11-5-8-17-6-3-2-4-7-17)28-22(13-16)29-21-14-18(9-10-27-21)23(24,25)26/h2-10,12-15H,11H2,1H3,(H,27,28,29).

What are the key properties of 4-methyl-6-[1-(3-phenylprop-2-enyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?

4-methyl-6-[1-(3-phenylprop-2-enyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 436.44 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-6-[1-(3-phenylprop-2-enyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 131743510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).