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

C17H13Cl2F3N4O — CID 38934796

IUPAC3-(2,3-dichlorophenyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1Cl)NCc1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C17H13Cl2F3N4O/c18-12-3-1-2-10(16(12)19)4-7-15(27)23-8-14-25-24-13-6-5-11(9-26(13)14)17(20,21)22/h1-3,5-6,9H,4,7-8H2,(H,23,27)
InChIKeyOOGFAENNLBCMDJ-UHFFFAOYSA-N
MW417.22 g/mol
LogP4.30
Rot. Bonds5

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

3-(2,3-dichlorophenyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide (PubChem CID 38934796) has the molecular formula C17H13Cl2F3N4O and a molecular weight of 417.22 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide
PubChem CID38934796
Molecular FormulaC17H13Cl2F3N4O
Molecular Weight417.22 g/mol
Exact Mass416.04
IUPAC Name3-(2,3-dichlorophenyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1Cl)NCc1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C17H13Cl2F3N4O/c18-12-3-1-2-10(16(12)19)4-7-15(27)23-8-14-25-24-13-6-5-11(9-26(13)14)17(20,21)22/h1-3,5-6,9H,4,7-8H2,(H,23,27)
InChIKeyOOGFAENNLBCMDJ-UHFFFAOYSA-N
XLogP4.30
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.22
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide (CID 38934796) is 3-(2,3-dichlorophenyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide is O=C(CCc1cccc(Cl)c1Cl)NCc1nnc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide?
The InChIKey is OOGFAENNLBCMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F3N4O/c18-12-3-1-2-10(16(12)19)4-7-15(27)23-8-14-25-24-13-6-5-11(9-26(13)14)17(20,21)22/h1-3,5-6,9H,4,7-8H2,(H,23,27).
What are the key properties of 3-(2,3-dichlorophenyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide?
3-(2,3-dichlorophenyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide has a molecular weight of 417.22 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide is sourced from PubChem (CID 38934796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).