1-[4-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]ethylcarbamic acid

C8H11F3N4O2 — CID 152746997

IUPAC1-[4-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]ethylcarbamic acid
SMILESCCn1c(C(C)NC(=O)O)nnc1C(F)(F)F
InChIInChI=1S/C8H11F3N4O2/c1-3-15-5(4(2)12-7(16)17)13-14-6(15)8(9,10)11/h4,12H,3H2,1-2H3,(H,16,17)
InChIKeyODZKLDYYAMRQAE-UHFFFAOYSA-N
MW252.20 g/mol
LogP1.65
Rot. Bonds3

About 1-[4-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]ethylcarbamic acid

1-[4-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]ethylcarbamic acid (PubChem CID 152746997) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is 1-[4-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]ethylcarbamic acid.

Molecular Properties

Compound Name1-[4-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]ethylcarbamic acid
PubChem CID152746997
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name1-[4-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]ethylcarbamic acid
SMILESCCn1c(C(C)NC(=O)O)nnc1C(F)(F)F
InChIInChI=1S/C8H11F3N4O2/c1-3-15-5(4(2)12-7(16)17)13-14-6(15)8(9,10)11/h4,12H,3H2,1-2H3,(H,16,17)
InChIKeyODZKLDYYAMRQAE-UHFFFAOYSA-N
XLogP1.65
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]ethylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47252639
1-[(4-Cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 86792323
1-[(4-Methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 86792368
tert-butyl N-[(1R)-1-[4-ethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]carbamate
CID 59438738
tert-butyl N-[1-[4-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]ethyl]carbamate
CID 59438748
[1-[2-Hexyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2,2-dimethylpropyl]carbamic acid
CID 66765519
[2,2-dimethyl-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]propyl]carbamic acid
CID 66765627
[(1S,3R)-3-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]cyclohexyl]carbamic acid
CID 67491216
[2-Hexyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methylcarbamic acid
CID 68299522
9-Methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine-8-carboxylic acid
CID 68810938
tert-butyl N-[1-[4-ethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propyl]carbamate
CID 143507485
2,2,2-trifluoroethyl N-[1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]carbamate
CID 47002570

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]ethylcarbamic acid?
The IUPAC name of 1-[4-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]ethylcarbamic acid (CID 152746997) is 1-[4-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]ethylcarbamic acid.
What is the SMILES notation for 1-[4-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]ethylcarbamic acid?
The canonical SMILES for 1-[4-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]ethylcarbamic acid is CCn1c(C(C)NC(=O)O)nnc1C(F)(F)F.
What is the InChIKey of 1-[4-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]ethylcarbamic acid?
The InChIKey is ODZKLDYYAMRQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c1-3-15-5(4(2)12-7(16)17)13-14-6(15)8(9,10)11/h4,12H,3H2,1-2H3,(H,16,17).
What are the key properties of 1-[4-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]ethylcarbamic acid?
1-[4-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]ethylcarbamic acid has a molecular weight of 252.20 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]ethylcarbamic acid is sourced from PubChem (CID 152746997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).