2-cyclopropyl-2-fluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine

C11H19FN4 — CID 112567279

IUPAC2-cyclopropyl-2-fluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCC(C)n1ncnc1CC(F)(CN)C1CC1
InChIInChI=1S/C11H19FN4/c1-8(2)16-10(14-7-15-16)5-11(12,6-13)9-3-4-9/h7-9H,3-6,13H2,1-2H3
InChIKeyFPOSQAIVLBUEIJ-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.48
Rot. Bonds5

About 2-cyclopropyl-2-fluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine

2-cyclopropyl-2-fluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 112567279) has the molecular formula C11H19FN4 and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID112567279
Molecular FormulaC11H19FN4
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC Name2-cyclopropyl-2-fluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCC(C)n1ncnc1CC(F)(CN)C1CC1
InChIInChI=1S/C11H19FN4/c1-8(2)16-10(14-7-15-16)5-11(12,6-13)9-3-4-9/h7-9H,3-6,13H2,1-2H3
InChIKeyFPOSQAIVLBUEIJ-UHFFFAOYSA-N
XLogP1.48
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-fluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-2-fluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine (CID 112567279) is 2-cyclopropyl-2-fluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-fluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-fluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine is CC(C)n1ncnc1CC(F)(CN)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-fluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is FPOSQAIVLBUEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4/c1-8(2)16-10(14-7-15-16)5-11(12,6-13)9-3-4-9/h7-9H,3-6,13H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-fluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine?
2-cyclopropyl-2-fluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 226.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-fluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 112567279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).