3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-amine

C14H11F3N4 — CID 117144561

IUPAC3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-amine
SMILESNc1ccn2c(Cc3ccc(C(F)(F)F)cc3)nnc2c1
InChIInChI=1S/C14H11F3N4/c15-14(16,17)10-3-1-9(2-4-10)7-12-19-20-13-8-11(18)5-6-21(12)13/h1-6,8H,7,18H2
InChIKeyMLVMMQHVGNLBAW-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.92
Rot. Bonds2

About 3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-amine

3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-amine (PubChem CID 117144561) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-amine.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-amine
PubChem CID117144561
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-amine
SMILESNc1ccn2c(Cc3ccc(C(F)(F)F)cc3)nnc2c1
InChIInChI=1S/C14H11F3N4/c15-14(16,17)10-3-1-9(2-4-10)7-12-19-20-13-8-11(18)5-6-21(12)13/h1-6,8H,7,18H2
InChIKeyMLVMMQHVGNLBAW-UHFFFAOYSA-N
XLogP2.92
TPSA56.21 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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139653
[3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143392
3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138638
7-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine
CID 117144556
7-chloro-3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117144572
[4-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanamine
CID 115944151
[3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143372
4-[(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]aniline
CID 62042814
3-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline
CID 82558720
3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
CID 117143667
[4-propyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanamine
CID 115944194
[4-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol
CID 115396597

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
The IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-amine (CID 117144561) is 3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-amine.
What is the SMILES notation for 3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
The canonical SMILES for 3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-amine is Nc1ccn2c(Cc3ccc(C(F)(F)F)cc3)nnc2c1.
What is the InChIKey of 3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
The InChIKey is MLVMMQHVGNLBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c15-14(16,17)10-3-1-9(2-4-10)7-12-19-20-13-8-11(18)5-6-21(12)13/h1-6,8H,7,18H2.
What are the key properties of 3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-amine has a molecular weight of 292.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-amine is sourced from PubChem (CID 117144561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).