2-ethyl-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine

C13H15F3N4 — CID 119071928

IUPAC2-ethyl-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
SMILESCCn1nc(-c2ccc(C(F)(F)F)cc2)nc1N(C)C
InChIInChI=1S/C13H15F3N4/c1-4-20-12(19(2)3)17-11(18-20)9-5-7-10(8-6-9)13(14,15)16/h5-8H,4H2,1-3H3
InChIKeyXNRHMUAYBCNJTK-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.05
Rot. Bonds3

About 2-ethyl-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine

2-ethyl-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine (PubChem CID 119071928) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-ethyl-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-ethyl-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
PubChem CID119071928
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name2-ethyl-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
SMILESCCn1nc(-c2ccc(C(F)(F)F)cc2)nc1N(C)C
InChIInChI=1S/C13H15F3N4/c1-4-20-12(19(2)3)17-11(18-20)9-5-7-10(8-6-9)13(14,15)16/h5-8H,4H2,1-3H3
InChIKeyXNRHMUAYBCNJTK-UHFFFAOYSA-N
XLogP3.05
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol
CID 172800977
4-[[5-ethoxy-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]methyl]-2-(trifluoromethyl)pyridine
CID 118903071
[2-methyl-4-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]butan-2-yl]carbamic acid
CID 69217055
3-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-[(3-ethylimidazol-4-yl)methyl]benzamide
CID 122557122
N'-ethyl-N'-methyl-N-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethane-1,2-diamine
CID 162549188
5-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117155823
2,6-bis[4-(trifluoromethyl)phenyl]pyrazine
CID 44532794
5-ethyl-1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazole
CID 70791508
N-[(1-ethylimidazol-4-yl)methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 154441795
5-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 83965634
[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methanol
CID 604211
N,N-dimethyl-6-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 71304529

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine?
The IUPAC name of 2-ethyl-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine (CID 119071928) is 2-ethyl-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-ethyl-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 2-ethyl-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine is CCn1nc(-c2ccc(C(F)(F)F)cc2)nc1N(C)C.
What is the InChIKey of 2-ethyl-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine?
The InChIKey is XNRHMUAYBCNJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-4-20-12(19(2)3)17-11(18-20)9-5-7-10(8-6-9)13(14,15)16/h5-8H,4H2,1-3H3.
What are the key properties of 2-ethyl-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine?
2-ethyl-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine has a molecular weight of 284.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 119071928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).