3-fluoro-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutan-1-amine

C11H19FN4 — CID 112564159

IUPAC3-fluoro-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutan-1-amine
SMILESCC(C)Cn1ncnc1CC1(F)CC(N)C1
InChIInChI=1S/C11H19FN4/c1-8(2)6-16-10(14-7-15-16)5-11(12)3-9(13)4-11/h7-9H,3-6,13H2,1-2H3
InChIKeyYRMHEUWEZQAHKJ-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.31
Rot. Bonds4

About 3-fluoro-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutan-1-amine

3-fluoro-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutan-1-amine (PubChem CID 112564159) has the molecular formula C11H19FN4 and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-fluoro-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutan-1-amine
PubChem CID112564159
Molecular FormulaC11H19FN4
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC Name3-fluoro-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutan-1-amine
SMILESCC(C)Cn1ncnc1CC1(F)CC(N)C1
InChIInChI=1S/C11H19FN4/c1-8(2)6-16-10(14-7-15-16)5-11(12)3-9(13)4-11/h7-9H,3-6,13H2,1-2H3
InChIKeyYRMHEUWEZQAHKJ-UHFFFAOYSA-N
XLogP1.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutan-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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutan-1-amine?
The IUPAC name of 3-fluoro-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutan-1-amine (CID 112564159) is 3-fluoro-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-fluoro-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutan-1-amine is CC(C)Cn1ncnc1CC1(F)CC(N)C1.
What is the InChIKey of 3-fluoro-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutan-1-amine?
The InChIKey is YRMHEUWEZQAHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4/c1-8(2)6-16-10(14-7-15-16)5-11(12)3-9(13)4-11/h7-9H,3-6,13H2,1-2H3.
What are the key properties of 3-fluoro-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutan-1-amine?
3-fluoro-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutan-1-amine has a molecular weight of 226.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 112564159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).