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

C14H11F3N4 — CID 43332186

IUPACN-methyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline
SMILESCNc1ccccc1-c1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C14H11F3N4/c1-18-11-5-3-2-4-10(11)13-20-19-12-7-6-9(8-21(12)13)14(15,16)17/h2-8,18H,1H3
InChIKeySBKATUDKWNJPMP-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.46
Rot. Bonds2

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

N-methyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline (PubChem CID 43332186) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-methyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline.

Molecular Properties

Compound NameN-methyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline
PubChem CID43332186
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC NameN-methyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline
SMILESCNc1ccccc1-c1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C14H11F3N4/c1-18-11-5-3-2-4-10(11)13-20-19-12-7-6-9(8-21(12)13)14(15,16)17/h2-8,18H,1H3
InChIKeySBKATUDKWNJPMP-UHFFFAOYSA-N
XLogP3.46
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 699185
4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,3-thiazol-2-amine
CID 62787937
6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139828
2-methoxy-5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline
CID 93206142
3-(3-phenylpropyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 142870006
3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139829
N-(2-chlorophenyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 31609768
N-(2-iodophenyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 31610582
N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 18100245
3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 137006539
3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139848
N-ethyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
CID 62852609

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline?
The IUPAC name of N-methyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline (CID 43332186) is N-methyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline.
What is the SMILES notation for N-methyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline?
The canonical SMILES for N-methyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline is CNc1ccccc1-c1nnc2ccc(C(F)(F)F)cn12.
What is the InChIKey of N-methyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline?
The InChIKey is SBKATUDKWNJPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c1-18-11-5-3-2-4-10(11)13-20-19-12-7-6-9(8-21(12)13)14(15,16)17/h2-8,18H,1H3.
What are the key properties of N-methyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline?
N-methyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline has a molecular weight of 292.26 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline is sourced from PubChem (CID 43332186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).