5-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]pyridin-2-amine

C12H13F3N4 — CID 114721619

IUPAC5-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cncn2CCCC(F)(F)F)cn1
InChIInChI=1S/C12H13F3N4/c13-12(14,15)4-1-5-19-8-17-7-10(19)9-2-3-11(16)18-6-9/h2-3,6-8H,1,4-5H2,(H2,16,18)
InChIKeyLDURWTMHTXIIQX-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.87
Rot. Bonds4

About 5-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]pyridin-2-amine

5-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114721619) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 5-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114721619
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name5-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cncn2CCCC(F)(F)F)cn1
InChIInChI=1S/C12H13F3N4/c13-12(14,15)4-1-5-19-8-17-7-10(19)9-2-3-11(16)18-6-9/h2-3,6-8H,1,4-5H2,(H2,16,18)
InChIKeyLDURWTMHTXIIQX-UHFFFAOYSA-N
XLogP2.87
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 5-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]pyridin-2-amine (CID 114721619) is 5-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]pyridin-2-amine is Nc1ccc(-c2cncn2CCCC(F)(F)F)cn1.
What is the InChIKey of 5-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is LDURWTMHTXIIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c13-12(14,15)4-1-5-19-8-17-7-10(19)9-2-3-11(16)18-6-9/h2-3,6-8H,1,4-5H2,(H2,16,18).
What are the key properties of 5-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]pyridin-2-amine?
5-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 270.26 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114721619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).