N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(trifluoromethoxy)benzamide

C15H11F3N4O2 — CID 53190345

IUPACN-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(trifluoromethoxy)benzamide
SMILESCc1nc2c(NC(=O)c3ccc(OC(F)(F)F)cc3)cccn2n1
InChIInChI=1S/C15H11F3N4O2/c1-9-19-13-12(3-2-8-22(13)21-9)20-14(23)10-4-6-11(7-5-10)24-15(16,17)18/h2-8H,1H3,(H,20,23)
InChIKeyBNJURPXMQUJQDZ-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.19
Rot. Bonds3

About N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(trifluoromethoxy)benzamide

N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 53190345) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(trifluoromethoxy)benzamide
PubChem CID53190345
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC NameN-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(trifluoromethoxy)benzamide
SMILESCc1nc2c(NC(=O)c3ccc(OC(F)(F)F)cc3)cccn2n1
InChIInChI=1S/C15H11F3N4O2/c1-9-19-13-12(3-2-8-22(13)21-9)20-14(23)10-4-6-11(7-5-10)24-15(16,17)18/h2-8H,1H3,(H,20,23)
InChIKeyBNJURPXMQUJQDZ-UHFFFAOYSA-N
XLogP3.19
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(trifluoromethoxy)benzamide (CID 53190345) is N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(trifluoromethoxy)benzamide is Cc1nc2c(NC(=O)c3ccc(OC(F)(F)F)cc3)cccn2n1.
What is the InChIKey of N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is BNJURPXMQUJQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c1-9-19-13-12(3-2-8-22(13)21-9)20-14(23)10-4-6-11(7-5-10)24-15(16,17)18/h2-8H,1H3,(H,20,23).
What are the key properties of N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(trifluoromethoxy)benzamide?
N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 336.27 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 53190345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).