5-[(1R)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1-methyl-1,2,4-triazole

C14H16FN3 — CID 97124140

IUPAC5-[(1R)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1-methyl-1,2,4-triazole
SMILESCn1ncnc1[C@]1(c2ccccc2F)CC1(C)C
InChIInChI=1S/C14H16FN3/c1-13(2)8-14(13,12-16-9-17-18(12)3)10-6-4-5-7-11(10)15/h4-7,9H,8H2,1-3H3/t14-/m1/s1
InChIKeyYVDHXSLFNKBULI-CQSZACIVSA-N
MW245.30 g/mol
LogP2.67
Rot. Bonds2

About 5-[(1R)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1-methyl-1,2,4-triazole

5-[(1R)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1-methyl-1,2,4-triazole (PubChem CID 97124140) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 5-[(1R)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name5-[(1R)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1-methyl-1,2,4-triazole
PubChem CID97124140
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name5-[(1R)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1-methyl-1,2,4-triazole
SMILESCn1ncnc1[C@]1(c2ccccc2F)CC1(C)C
InChIInChI=1S/C14H16FN3/c1-13(2)8-14(13,12-16-9-17-18(12)3)10-6-4-5-7-11(10)15/h4-7,9H,8H2,1-3H3/t14-/m1/s1
InChIKeyYVDHXSLFNKBULI-CQSZACIVSA-N
XLogP2.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(1R)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1-methyl-1,2,4-triazole 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

3-[1-(2-Fluorophenyl)cyclopentyl]-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 10018475
3-[1-(2-Fluorophenyl)cyclobutyl]-5,6,7,8,9,10-hexahydro[1,2,4]triazolo[4,3-alpha]azocine
CID 10380007
3-[1-(4-Methylphenyl)cyclopropyl]-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 10446475
3-[1-(4-Fluorophenyl)cyclopentyl]-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 10064183
3-(1-Phenylcyclopropyl)-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 10355633
3-[1-(3-Fluorophenyl)cyclobutyl]-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 10447474
3-[1-(4-Fluorophenyl)cyclobutyl]-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 10470037
3-[1-(4-Fluorophenyl)cyclohexyl]-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 20724870
1-[(3R)-3-(4-fluorophenyl)heptyl]-1,2,4-triazole
CID 25170867
1-[(3R)-3-(4-fluorophenyl)pentyl]-1,2,4-triazole
CID 25170662
1-[(3S)-3-(4-fluorophenyl)pentyl]-1,2,4-triazole
CID 25170663
1-[(3R)-3-(4-fluorophenyl)hexyl]-1,2,4-triazole
CID 25170668

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1-methyl-1,2,4-triazole?
The IUPAC name of 5-[(1R)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1-methyl-1,2,4-triazole (CID 97124140) is 5-[(1R)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1-methyl-1,2,4-triazole.
What is the SMILES notation for 5-[(1R)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1-methyl-1,2,4-triazole?
The canonical SMILES for 5-[(1R)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1-methyl-1,2,4-triazole is Cn1ncnc1[C@]1(c2ccccc2F)CC1(C)C.
What is the InChIKey of 5-[(1R)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1-methyl-1,2,4-triazole?
The InChIKey is YVDHXSLFNKBULI-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16FN3/c1-13(2)8-14(13,12-16-9-17-18(12)3)10-6-4-5-7-11(10)15/h4-7,9H,8H2,1-3H3/t14-/m1/s1.
What are the key properties of 5-[(1R)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1-methyl-1,2,4-triazole?
5-[(1R)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1-methyl-1,2,4-triazole has a molecular weight of 245.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1-methyl-1,2,4-triazole is sourced from PubChem (CID 97124140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).