1H-1,2,4-triazol-5-yl-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone

C12H13F3N6O — CID 128963911

IUPAC1H-1,2,4-triazol-5-yl-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ncn[nH]1)N1CCCC(c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C12H13F3N6O/c13-12(14,15)8-4-16-9(19-8)7-2-1-3-21(5-7)11(22)10-17-6-18-20-10/h4,6-7H,1-3,5H2,(H,16,19)(H,17,18,20)
InChIKeyYYPVZKWBGISGGJ-UHFFFAOYSA-N
MW314.27 g/mol
LogP1.57
Rot. Bonds2

About 1H-1,2,4-triazol-5-yl-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone

1H-1,2,4-triazol-5-yl-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 128963911) has the molecular formula C12H13F3N6O and a molecular weight of 314.27 g/mol. Its IUPAC name is 1H-1,2,4-triazol-5-yl-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-1,2,4-triazol-5-yl-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID128963911
Molecular FormulaC12H13F3N6O
Molecular Weight314.27 g/mol
Exact Mass314.11
IUPAC Name1H-1,2,4-triazol-5-yl-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ncn[nH]1)N1CCCC(c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C12H13F3N6O/c13-12(14,15)8-4-16-9(19-8)7-2-1-3-21(5-7)11(22)10-17-6-18-20-10/h4,6-7H,1-3,5H2,(H,16,19)(H,17,18,20)
InChIKeyYYPVZKWBGISGGJ-UHFFFAOYSA-N
XLogP1.57
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-1,2,4-triazol-5-yl-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of 1H-1,2,4-triazol-5-yl-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (CID 128963911) is 1H-1,2,4-triazol-5-yl-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-1,2,4-triazol-5-yl-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for 1H-1,2,4-triazol-5-yl-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is O=C(c1ncn[nH]1)N1CCCC(c2ncc(C(F)(F)F)[nH]2)C1.
What is the InChIKey of 1H-1,2,4-triazol-5-yl-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is YYPVZKWBGISGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N6O/c13-12(14,15)8-4-16-9(19-8)7-2-1-3-21(5-7)11(22)10-17-6-18-20-10/h4,6-7H,1-3,5H2,(H,16,19)(H,17,18,20).
What are the key properties of 1H-1,2,4-triazol-5-yl-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
1H-1,2,4-triazol-5-yl-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 314.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,2,4-triazol-5-yl-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 128963911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).