N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine

C10H10F3N5 — CID 64530665

IUPACN-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccc(NCCc2ncn[nH]2)n1
InChIInChI=1S/C10H10F3N5/c11-10(12,13)7-2-1-3-8(17-7)14-5-4-9-15-6-16-18-9/h1-3,6H,4-5H2,(H,14,17)(H,15,16,18)
InChIKeyRUCVYAVEMCSQHS-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.87
Rot. Bonds4

About N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine

N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 64530665) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine
PubChem CID64530665
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccc(NCCc2ncn[nH]2)n1
InChIInChI=1S/C10H10F3N5/c11-10(12,13)7-2-1-3-8(17-7)14-5-4-9-15-6-16-18-9/h1-3,6H,4-5H2,(H,14,17)(H,15,16,18)
InChIKeyRUCVYAVEMCSQHS-UHFFFAOYSA-N
XLogP1.87
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-1,2,4-triazol-5-yl)propyl]-6-(trifluoromethyl)pyridin-2-amine
CID 64529648
2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875536
N-[2-(1H-imidazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine
CID 65232549
2-N,2-N-dimethyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine
CID 64829107
N-octyl-6-(trifluoromethyl)pyridin-2-amine
CID 115568965
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64547950
6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazin-3-amine
CID 64532057
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-2-(trifluoromethyl)aniline
CID 64532428
6-methyl-4-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-diamine
CID 2726000
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline
CID 61360611
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64547392
6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine
CID 64548244

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine (CID 64530665) is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccc(NCCc2ncn[nH]2)n1.
What is the InChIKey of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RUCVYAVEMCSQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c11-10(12,13)7-2-1-3-8(17-7)14-5-4-9-15-6-16-18-9/h1-3,6H,4-5H2,(H,14,17)(H,15,16,18).
What are the key properties of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine?
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 257.22 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 64530665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).