N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide

C15H11F3N4O — CID 18100245

IUPACN-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESO=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1ccccc1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)11-6-7-12-20-21-13(22(12)9-11)8-19-14(23)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,23)
InChIKeyDHWOEFGFWIGVOS-UHFFFAOYSA-N
MW320.27 g/mol
LogP2.68
Rot. Bonds3

About N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide

N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (PubChem CID 18100245) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
PubChem CID18100245
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC NameN-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESO=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1ccccc1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)11-6-7-12-20-21-13(22(12)9-11)8-19-14(23)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,23)
InChIKeyDHWOEFGFWIGVOS-UHFFFAOYSA-N
XLogP2.68
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The IUPAC name of N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (CID 18100245) is N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The canonical SMILES for N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is O=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1ccccc1.
What is the InChIKey of N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The InChIKey is DHWOEFGFWIGVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c16-15(17,18)11-6-7-12-20-21-13(22(12)9-11)8-19-14(23)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,23).
What are the key properties of N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide has a molecular weight of 320.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is sourced from PubChem (CID 18100245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).