N-[[1-(4-anilinophenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine

C21H17F3N6 — CID 146293517

IUPACN-[[1-(4-anilinophenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESFC(F)(F)c1cc(NCc2cn(-c3ccc(Nc4ccccc4)cc3)nn2)ccn1
InChIInChI=1S/C21H17F3N6/c22-21(23,24)20-12-17(10-11-25-20)26-13-18-14-30(29-28-18)19-8-6-16(7-9-19)27-15-4-2-1-3-5-15/h1-12,14,27H,13H2,(H,25,26)
InChIKeyZHDZLMYANVUGRR-UHFFFAOYSA-N
MW410.40 g/mol
LogP5.04
Rot. Bonds6

About N-[[1-(4-anilinophenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine

N-[[1-(4-anilinophenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 146293517) has the molecular formula C21H17F3N6 and a molecular weight of 410.40 g/mol. Its IUPAC name is N-[[1-(4-anilinophenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[[1-(4-anilinophenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
PubChem CID146293517
Molecular FormulaC21H17F3N6
Molecular Weight410.40 g/mol
Exact Mass410.15
IUPAC NameN-[[1-(4-anilinophenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESFC(F)(F)c1cc(NCc2cn(-c3ccc(Nc4ccccc4)cc3)nn2)ccn1
InChIInChI=1S/C21H17F3N6/c22-21(23,24)20-12-17(10-11-25-20)26-13-18-14-30(29-28-18)19-8-6-16(7-9-19)27-15-4-2-1-3-5-15/h1-12,14,27H,13H2,(H,25,26)
InChIKeyZHDZLMYANVUGRR-UHFFFAOYSA-N
XLogP5.04
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-anilinophenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-[[1-(4-anilinophenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine (CID 146293517) is N-[[1-(4-anilinophenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-[[1-(4-anilinophenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-[[1-(4-anilinophenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine is FC(F)(F)c1cc(NCc2cn(-c3ccc(Nc4ccccc4)cc3)nn2)ccn1.
What is the InChIKey of N-[[1-(4-anilinophenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is ZHDZLMYANVUGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6/c22-21(23,24)20-12-17(10-11-25-20)26-13-18-14-30(29-28-18)19-8-6-16(7-9-19)27-15-4-2-1-3-5-15/h1-12,14,27H,13H2,(H,25,26).
What are the key properties of N-[[1-(4-anilinophenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
N-[[1-(4-anilinophenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 410.40 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-anilinophenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 146293517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).