6-fluoro-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine

C9H4F4N6 — CID 171521953

IUPAC6-fluoro-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine
SMILESFc1cnc2nc(-c3n[nH]c(C(F)(F)F)n3)cn2c1
InChIInChI=1S/C9H4F4N6/c10-4-1-14-8-15-5(3-19(8)2-4)6-16-7(18-17-6)9(11,12)13/h1-3H,(H,16,17,18)
InChIKeyLCVHRSUVSXSWSE-UHFFFAOYSA-N
MW272.17 g/mol
LogP1.67
Rot. Bonds1

About 6-fluoro-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine

6-fluoro-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine (PubChem CID 171521953) has the molecular formula C9H4F4N6 and a molecular weight of 272.17 g/mol. Its IUPAC name is 6-fluoro-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-fluoro-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine
PubChem CID171521953
Molecular FormulaC9H4F4N6
Molecular Weight272.17 g/mol
Exact Mass272.04
IUPAC Name6-fluoro-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine
SMILESFc1cnc2nc(-c3n[nH]c(C(F)(F)F)n3)cn2c1
InChIInChI=1S/C9H4F4N6/c10-4-1-14-8-15-5(3-19(8)2-4)6-16-7(18-17-6)9(11,12)13/h1-3H,(H,16,17,18)
InChIKeyLCVHRSUVSXSWSE-UHFFFAOYSA-N
XLogP1.67
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-fluoro-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine (CID 171521953) is 6-fluoro-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-fluoro-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-fluoro-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine is Fc1cnc2nc(-c3n[nH]c(C(F)(F)F)n3)cn2c1.
What is the InChIKey of 6-fluoro-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine?
The InChIKey is LCVHRSUVSXSWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F4N6/c10-4-1-14-8-15-5(3-19(8)2-4)6-16-7(18-17-6)9(11,12)13/h1-3H,(H,16,17,18).
What are the key properties of 6-fluoro-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine?
6-fluoro-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine has a molecular weight of 272.17 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 171521953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).