1-(2-methoxyphenyl)-5-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide

C22H16F3N5O2 — CID 71793932

IUPAC1-(2-methoxyphenyl)-5-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCOc1ccccc1-n1nnc(C(=O)Nc2cccc(C(F)(F)F)c2)c1-c1ccccn1
InChIInChI=1S/C22H16F3N5O2/c1-32-18-11-3-2-10-17(18)30-20(16-9-4-5-12-26-16)19(28-29-30)21(31)27-15-8-6-7-14(13-15)22(23,24)25/h2-13H,1H3,(H,27,31)
InChIKeyNNDWEYLUSOELJK-UHFFFAOYSA-N
MW439.40 g/mol
LogP4.61
Rot. Bonds5

About 1-(2-methoxyphenyl)-5-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide

1-(2-methoxyphenyl)-5-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 71793932) has the molecular formula C22H16F3N5O2 and a molecular weight of 439.40 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID71793932
Molecular FormulaC22H16F3N5O2
Molecular Weight439.40 g/mol
Exact Mass439.13
IUPAC Name1-(2-methoxyphenyl)-5-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCOc1ccccc1-n1nnc(C(=O)Nc2cccc(C(F)(F)F)c2)c1-c1ccccn1
InChIInChI=1S/C22H16F3N5O2/c1-32-18-11-3-2-10-17(18)30-20(16-9-4-5-12-26-16)19(28-29-30)21(31)27-15-8-6-7-14(13-15)22(23,24)25/h2-13H,1H3,(H,27,31)
InChIKeyNNDWEYLUSOELJK-UHFFFAOYSA-N
XLogP4.61
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-5-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 71793932) is 1-(2-methoxyphenyl)-5-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-5-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is COc1ccccc1-n1nnc(C(=O)Nc2cccc(C(F)(F)F)c2)c1-c1ccccn1.
What is the InChIKey of 1-(2-methoxyphenyl)-5-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is NNDWEYLUSOELJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2/c1-32-18-11-3-2-10-17(18)30-20(16-9-4-5-12-26-16)19(28-29-30)21(31)27-15-8-6-7-14(13-15)22(23,24)25/h2-13H,1H3,(H,27,31).
What are the key properties of 1-(2-methoxyphenyl)-5-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
1-(2-methoxyphenyl)-5-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 439.40 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 71793932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).