[4-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanamine

C13H15F3N4 — CID 115944151

IUPAC[4-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanamine
SMILESCCn1c(CN)nnc1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3N4/c1-2-20-11(18-19-12(20)8-17)7-9-3-5-10(6-4-9)13(14,15)16/h3-6H,2,7-8,17H2,1H3
InChIKeyOJPKXVWPXWFPMH-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.37
Rot. Bonds4

About [4-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanamine

[4-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 115944151) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is [4-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanamine
PubChem CID115944151
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name[4-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanamine
SMILESCCn1c(CN)nnc1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3N4/c1-2-20-11(18-19-12(20)8-17)7-9-3-5-10(6-4-9)13(14,15)16/h3-6H,2,7-8,17H2,1H3
InChIKeyOJPKXVWPXWFPMH-UHFFFAOYSA-N
XLogP2.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[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
[5-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 115944139
[5-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594081
3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117144561
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
6-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139653
3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117151642
3-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 3812547
3-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]propan-1-amine
CID 82558553
(5-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine
CID 112593519
(5-tert-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine
CID 112593472

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanamine (CID 115944151) is [4-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanamine is CCn1c(CN)nnc1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is OJPKXVWPXWFPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-2-20-11(18-19-12(20)8-17)7-9-3-5-10(6-4-9)13(14,15)16/h3-6H,2,7-8,17H2,1H3.
What are the key properties of [4-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanamine?
[4-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 284.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 115944151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).