4-[4-[2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]triazol-1-yl]cyclohexan-1-amine

C16H17F2N7 — CID 131946870

IUPAC4-[4-[2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]triazol-1-yl]cyclohexan-1-amine
SMILESNC1CCC(n2cc(-c3ncnn3-c3ccc(F)cc3F)nn2)CC1
InChIInChI=1S/C16H17F2N7/c17-10-1-6-15(13(18)7-10)25-16(20-9-21-25)14-8-24(23-22-14)12-4-2-11(19)3-5-12/h1,6-9,11-12H,2-5,19H2
InChIKeyJOIUCJHYKBMYBE-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.25
Rot. Bonds3

About 4-[4-[2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]triazol-1-yl]cyclohexan-1-amine

4-[4-[2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]triazol-1-yl]cyclohexan-1-amine (PubChem CID 131946870) has the molecular formula C16H17F2N7 and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-[4-[2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]triazol-1-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-[2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]triazol-1-yl]cyclohexan-1-amine
PubChem CID131946870
Molecular FormulaC16H17F2N7
Molecular Weight345.36 g/mol
Exact Mass345.15
IUPAC Name4-[4-[2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]triazol-1-yl]cyclohexan-1-amine
SMILESNC1CCC(n2cc(-c3ncnn3-c3ccc(F)cc3F)nn2)CC1
InChIInChI=1S/C16H17F2N7/c17-10-1-6-15(13(18)7-10)25-16(20-9-21-25)14-8-24(23-22-14)12-4-2-11(19)3-5-12/h1,6-9,11-12H,2-5,19H2
InChIKeyJOIUCJHYKBMYBE-UHFFFAOYSA-N
XLogP2.25
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]triazol-1-yl]cyclohexan-1-amine 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

2-(2,4-difluorophenyl)-1,2,4-triazol-3-amine
CID 62677520
1-cyclopropyl-4-(3-fluoro-4-propan-2-ylphenyl)triazole
CID 166088183
2-[2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-amine
CID 89140455
1-(2,4-difluorophenyl)-5-methyltriazol-4-amine
CID 79501941
4-[4-(5-methylidene-4H-1,3-oxazol-2-yl)triazol-1-yl]cyclohexan-1-amine
CID 162042327
5-[4-(3-fluorophenyl)triazol-1-yl]oxan-3-amine
CID 157041280
5-[1-(4-aminocyclohexyl)triazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid
CID 161297081
4-(chloromethyl)-5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole
CID 66439229
1-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]-4-phenyltriazole
CID 121150194
N-(2,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673265
N-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737963
5-[1-(4-aminocyclohexyl)triazol-4-yl]-2-methyl-N-phenylbenzamide;2,2,2-trifluoroacetic acid
CID 166296187

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]triazol-1-yl]cyclohexan-1-amine?
The IUPAC name of 4-[4-[2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]triazol-1-yl]cyclohexan-1-amine (CID 131946870) is 4-[4-[2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]triazol-1-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[4-[2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]triazol-1-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[4-[2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]triazol-1-yl]cyclohexan-1-amine is NC1CCC(n2cc(-c3ncnn3-c3ccc(F)cc3F)nn2)CC1.
What is the InChIKey of 4-[4-[2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]triazol-1-yl]cyclohexan-1-amine?
The InChIKey is JOIUCJHYKBMYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N7/c17-10-1-6-15(13(18)7-10)25-16(20-9-21-25)14-8-24(23-22-14)12-4-2-11(19)3-5-12/h1,6-9,11-12H,2-5,19H2.
What are the key properties of 4-[4-[2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]triazol-1-yl]cyclohexan-1-amine?
4-[4-[2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]triazol-1-yl]cyclohexan-1-amine has a molecular weight of 345.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]triazol-1-yl]cyclohexan-1-amine is sourced from PubChem (CID 131946870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).