1-[5-ethyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine

C14H17F3N4 — CID 107431443

IUPAC1-[5-ethyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine
SMILESCCc1c(C(N)CC)nnn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H17F3N4/c1-3-10(18)13-11(4-2)21(20-19-13)12-8-6-5-7-9(12)14(15,16)17/h5-8,10H,3-4,18H2,1-2H3
InChIKeyOYEHKIJTZXOIIW-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.26
Rot. Bonds4

About 1-[5-ethyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine

1-[5-ethyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine (PubChem CID 107431443) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 1-[5-ethyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-ethyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine
PubChem CID107431443
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC Name1-[5-ethyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine
SMILESCCc1c(C(N)CC)nnn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H17F3N4/c1-3-10(18)13-11(4-2)21(20-19-13)12-8-6-5-7-9(12)14(15,16)17/h5-8,10H,3-4,18H2,1-2H3
InChIKeyOYEHKIJTZXOIIW-UHFFFAOYSA-N
XLogP3.26
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethyl-1-naphthalen-1-yltriazol-4-yl)propan-1-amine
CID 107431509
1-(5-ethyl-1-phenyltriazol-4-yl)propan-1-amine
CID 107431554
1-[1-(4-chlorophenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107431508
1-[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]propan-1-amine
CID 107431517
1-[1-(4-bromo-5-fluoro-2-methylphenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107431765
1-[1-(5-bromo-4-fluoro-2-methylphenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107593569
1-[1-(3,5-dichloro-4-fluorophenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107577515
5-tert-butyl-1-[2-(trifluoromethyl)phenyl]triazol-4-amine
CID 79507637
3-(1-aminopropyl)-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one
CID 102654948
1-[1-(2-bromophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431574
1-[1-(2-chlorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431444
4-(chloromethyl)-5-(4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]triazole
CID 56769774

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine?
The IUPAC name of 1-[5-ethyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine (CID 107431443) is 1-[5-ethyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[5-ethyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[5-ethyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine is CCc1c(C(N)CC)nnn1-c1ccccc1C(F)(F)F.
What is the InChIKey of 1-[5-ethyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine?
The InChIKey is OYEHKIJTZXOIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c1-3-10(18)13-11(4-2)21(20-19-13)12-8-6-5-7-9(12)14(15,16)17/h5-8,10H,3-4,18H2,1-2H3.
What are the key properties of 1-[5-ethyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine?
1-[5-ethyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine has a molecular weight of 298.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine is sourced from PubChem (CID 107431443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).