N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine

C11H12F3N5 — CID 62118669

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1cccc(C(F)(F)F)n1)c1nncn1C
InChIInChI=1S/C11H12F3N5/c1-7(10-18-15-6-19(10)2)16-9-5-3-4-8(17-9)11(12,13)14/h3-7H,1-2H3,(H,16,17)
InChIKeyYHARXQYKJOBFBD-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.40
Rot. Bonds3

About N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 62118669) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine
PubChem CID62118669
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1cccc(C(F)(F)F)n1)c1nncn1C
InChIInChI=1S/C11H12F3N5/c1-7(10-18-15-6-19(10)2)16-9-5-3-4-8(17-9)11(12,13)14/h3-7H,1-2H3,(H,16,17)
InChIKeyYHARXQYKJOBFBD-UHFFFAOYSA-N
XLogP2.40
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 63586359
6-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 63589349
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoxalin-2-amine
CID 164640206
N-(1-chloro-3-methylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 79267996
1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 62118811
3-chloro-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,2-diamine
CID 62118997
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-benzotriazin-3-amine
CID 103204246
3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzoic acid
CID 102822486
3-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 62733798
4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-(trifluoromethyl)benzonitrile
CID 62117730
4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 62117357
2,6-difluoro-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-diamine
CID 55037691

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine (CID 62118669) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine is CC(Nc1cccc(C(F)(F)F)n1)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YHARXQYKJOBFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c1-7(10-18-15-6-19(10)2)16-9-5-3-4-8(17-9)11(12,13)14/h3-7H,1-2H3,(H,16,17).
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 271.25 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 62118669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).