3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine

C7H6F2N4 — CID 22329558

IUPAC3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine
SMILESCC(F)(F)c1cnn2ccnc2n1
InChIInChI=1S/C7H6F2N4/c1-7(8,9)5-4-11-13-3-2-10-6(13)12-5/h2-4H,1H3
InChIKeyJWPMJAUVXVVXSZ-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.24
Rot. Bonds1

About 3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine

3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine (PubChem CID 22329558) has the molecular formula C7H6F2N4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine
PubChem CID22329558
Molecular FormulaC7H6F2N4
Molecular Weight184.15 g/mol
Exact Mass184.06
IUPAC Name3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine
SMILESCC(F)(F)c1cnn2ccnc2n1
InChIInChI=1S/C7H6F2N4/c1-7(8,9)5-4-11-13-3-2-10-6(13)12-5/h2-4H,1H3
InChIKeyJWPMJAUVXVVXSZ-UHFFFAOYSA-N
XLogP1.24
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine?
The IUPAC name of 3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine (CID 22329558) is 3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine.
What is the SMILES notation for 3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine?
The canonical SMILES for 3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine is CC(F)(F)c1cnn2ccnc2n1.
What is the InChIKey of 3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine?
The InChIKey is JWPMJAUVXVVXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N4/c1-7(8,9)5-4-11-13-3-2-10-6(13)12-5/h2-4H,1H3.
What are the key properties of 3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine?
3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine has a molecular weight of 184.15 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine is sourced from PubChem (CID 22329558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).