2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C10H10F3N5 — CID 167906945

IUPAC2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESFC(F)(F)c1nc(-c2cn3c(n2)CCCC3)n[nH]1
InChIInChI=1S/C10H10F3N5/c11-10(12,13)9-15-8(16-17-9)6-5-18-4-2-1-3-7(18)14-6/h5H,1-4H2,(H,15,16,17)
InChIKeyBBFGFVWAXAYCHI-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.02
Rot. Bonds1

About 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 167906945) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID167906945
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC Name2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESFC(F)(F)c1nc(-c2cn3c(n2)CCCC3)n[nH]1
InChIInChI=1S/C10H10F3N5/c11-10(12,13)9-15-8(16-17-9)6-5-18-4-2-1-3-7(18)14-6/h5H,1-4H2,(H,15,16,17)
InChIKeyBBFGFVWAXAYCHI-UHFFFAOYSA-N
XLogP2.02
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 167906945) is 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is FC(F)(F)c1nc(-c2cn3c(n2)CCCC3)n[nH]1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is BBFGFVWAXAYCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c11-10(12,13)9-15-8(16-17-9)6-5-18-4-2-1-3-7(18)14-6/h5H,1-4H2,(H,15,16,17).
What are the key properties of 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 257.22 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 167906945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).