1-[(1S,2R)-2-aminocyclohexyl]-N-cyclopropyl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide

C14H20F3N5O — CID 138011430

IUPAC1-[(1S,2R)-2-aminocyclohexyl]-N-cyclopropyl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide
SMILESN[C@@H]1CCCC[C@@H]1n1cc(C(=O)N(CC(F)(F)F)C2CC2)nn1
InChIInChI=1S/C14H20F3N5O/c15-14(16,17)8-21(9-5-6-9)13(23)11-7-22(20-19-11)12-4-2-1-3-10(12)18/h7,9-10,12H,1-6,8,18H2/t10-,12+/m1/s1
InChIKeyJHLOHJJGODEDCL-PWSUYJOCSA-N
MW331.34 g/mol
LogP1.89
Rot. Bonds4

About 1-[(1S,2R)-2-aminocyclohexyl]-N-cyclopropyl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide

1-[(1S,2R)-2-aminocyclohexyl]-N-cyclopropyl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide (PubChem CID 138011430) has the molecular formula C14H20F3N5O and a molecular weight of 331.34 g/mol. Its IUPAC name is 1-[(1S,2R)-2-aminocyclohexyl]-N-cyclopropyl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(1S,2R)-2-aminocyclohexyl]-N-cyclopropyl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide
PubChem CID138011430
Molecular FormulaC14H20F3N5O
Molecular Weight331.34 g/mol
Exact Mass331.16
IUPAC Name1-[(1S,2R)-2-aminocyclohexyl]-N-cyclopropyl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide
SMILESN[C@@H]1CCCC[C@@H]1n1cc(C(=O)N(CC(F)(F)F)C2CC2)nn1
InChIInChI=1S/C14H20F3N5O/c15-14(16,17)8-21(9-5-6-9)13(23)11-7-22(20-19-11)12-4-2-1-3-10(12)18/h7,9-10,12H,1-6,8,18H2/t10-,12+/m1/s1
InChIKeyJHLOHJJGODEDCL-PWSUYJOCSA-N
XLogP1.89
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(1S,2R)-2-aminocyclohexyl]-N-cyclopropyl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-6-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 115497708
N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide
CID 61410101
1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide
CID 79316126
ethyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-cyclopropylamino]acetate
CID 79319742
4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 55006736
2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 55041654
N-cyclopropyl-2-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 55010203
N-benzyl-N-cyclopropyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 46547209
N-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63283305
5-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62238262
1-cyclohexyl-N,N-bis(prop-2-enyl)triazole-4-carboxamide
CID 42194943
N-(cyanomethyl)-N-cyclopentyl-1-methyltriazole-4-carboxamide
CID 112735587

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-aminocyclohexyl]-N-cyclopropyl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide?
The IUPAC name of 1-[(1S,2R)-2-aminocyclohexyl]-N-cyclopropyl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide (CID 138011430) is 1-[(1S,2R)-2-aminocyclohexyl]-N-cyclopropyl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[(1S,2R)-2-aminocyclohexyl]-N-cyclopropyl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide?
The canonical SMILES for 1-[(1S,2R)-2-aminocyclohexyl]-N-cyclopropyl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide is N[C@@H]1CCCC[C@@H]1n1cc(C(=O)N(CC(F)(F)F)C2CC2)nn1.
What is the InChIKey of 1-[(1S,2R)-2-aminocyclohexyl]-N-cyclopropyl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide?
The InChIKey is JHLOHJJGODEDCL-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H20F3N5O/c15-14(16,17)8-21(9-5-6-9)13(23)11-7-22(20-19-11)12-4-2-1-3-10(12)18/h7,9-10,12H,1-6,8,18H2/t10-,12+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-aminocyclohexyl]-N-cyclopropyl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide?
1-[(1S,2R)-2-aminocyclohexyl]-N-cyclopropyl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-aminocyclohexyl]-N-cyclopropyl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide is sourced from PubChem (CID 138011430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).