1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide;2,2,2-trifluoroacetic acid

C16H23F3N8O3 — CID 154895037

IUPAC1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(NC(=O)c1cn(C2CCC(N)CC2)nn1)c1ncnn1C.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22N8O.C2HF3O2/c1-9(13-16-8-17-21(13)2)18-14(23)12-7-22(20-19-12)11-5-3-10(15)4-6-11;3-2(4,5)1(6)7/h7-11H,3-6,15H2,1-2H3,(H,18,23);(H,6,7)
InChIKeyZYZQHVVHMOEMPS-UHFFFAOYSA-N
MW432.41 g/mol
LogP0.97
Rot. Bonds4

About 1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide;2,2,2-trifluoroacetic acid

1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154895037) has the molecular formula C16H23F3N8O3 and a molecular weight of 432.41 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154895037
Molecular FormulaC16H23F3N8O3
Molecular Weight432.41 g/mol
Exact Mass432.18
IUPAC Name1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(NC(=O)c1cn(C2CCC(N)CC2)nn1)c1ncnn1C.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22N8O.C2HF3O2/c1-9(13-16-8-17-21(13)2)18-14(23)12-7-22(20-19-12)11-5-3-10(15)4-6-11;3-2(4,5)1(6)7/h7-11H,3-6,15H2,1-2H3,(H,18,23);(H,6,7)
InChIKeyZYZQHVVHMOEMPS-UHFFFAOYSA-N
XLogP0.97
TPSA153.84 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide;2,2,2-trifluoroacetic acid (CID 154895037) is 1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide;2,2,2-trifluoroacetic acid is CC(NC(=O)c1cn(C2CCC(N)CC2)nn1)c1ncnn1C.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZYZQHVVHMOEMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N8O.C2HF3O2/c1-9(13-16-8-17-21(13)2)18-14(23)12-7-22(20-19-12)11-5-3-10(15)4-6-11;3-2(4,5)1(6)7/h7-11H,3-6,15H2,1-2H3,(H,18,23);(H,6,7).
What are the key properties of 1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide;2,2,2-trifluoroacetic acid?
1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 432.41 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154895037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).