N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine

C11H12F3N5 — CID 102708410

IUPACN-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
SMILESCCNC(c1cn[nH]n1)c1cnccc1C(F)(F)F
InChIInChI=1S/C11H12F3N5/c1-2-16-10(9-6-17-19-18-9)7-5-15-4-3-8(7)11(12,13)14/h3-6,10,16H,2H2,1H3,(H,17,18,19)
InChIKeyXEKQLUBPNOTLIJ-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.92
Rot. Bonds4

About N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine

N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine (PubChem CID 102708410) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
PubChem CID102708410
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC NameN-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
SMILESCCNC(c1cn[nH]n1)c1cnccc1C(F)(F)F
InChIInChI=1S/C11H12F3N5/c1-2-16-10(9-6-17-19-18-9)7-5-15-4-3-8(7)11(12,13)14/h3-6,10,16H,2H2,1H3,(H,17,18,19)
InChIKeyXEKQLUBPNOTLIJ-UHFFFAOYSA-N
XLogP1.92
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102708411
N-[[2-methyl-4-(trifluoromethyl)phenyl]-(2H-triazol-4-yl)methyl]ethanamine
CID 102754825
N,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708571
N-ethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102708349
N-[(2-chloro-5-fluorophenyl)-(2H-triazol-4-yl)methyl]ethanamine
CID 105395319
N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102708017
N-[(2-methylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 102708274
N-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62802970
N-[(4-bromo-3-chloro-2-fluorophenyl)-(2H-triazol-4-yl)methyl]ethanamine
CID 106762829
N-ethyl-3-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102709215
N-[(2-bromofuran-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 106858910
N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708033

Frequently Asked Questions

What is the IUPAC name of N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine (CID 102708410) is N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine is CCNC(c1cn[nH]n1)c1cnccc1C(F)(F)F.
What is the InChIKey of N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is XEKQLUBPNOTLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c1-2-16-10(9-6-17-19-18-9)7-5-15-4-3-8(7)11(12,13)14/h3-6,10,16H,2H2,1H3,(H,17,18,19).
What are the key properties of N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine?
N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 271.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 102708410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).