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

C13H15F3N6O — CID 154756866

IUPAC[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESCn1cc(C(F)(F)F)nc1C1CCCN(C(=O)c2ncn[nH]2)C1
InChIInChI=1S/C13H15F3N6O/c1-21-6-9(13(14,15)16)19-11(21)8-3-2-4-22(5-8)12(23)10-17-7-18-20-10/h6-8H,2-5H2,1H3,(H,17,18,20)
InChIKeyGOFRDCTYPMHVSL-UHFFFAOYSA-N
MW328.30 g/mol
LogP1.58
Rot. Bonds2

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

[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 154756866) has the molecular formula C13H15F3N6O and a molecular weight of 328.30 g/mol. Its IUPAC name is [3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID154756866
Molecular FormulaC13H15F3N6O
Molecular Weight328.30 g/mol
Exact Mass328.13
IUPAC Name[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESCn1cc(C(F)(F)F)nc1C1CCCN(C(=O)c2ncn[nH]2)C1
InChIInChI=1S/C13H15F3N6O/c1-21-6-9(13(14,15)16)19-11(21)8-3-2-4-22(5-8)12(23)10-17-7-18-20-10/h6-8H,2-5H2,1H3,(H,17,18,20)
InChIKeyGOFRDCTYPMHVSL-UHFFFAOYSA-N
XLogP1.58
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of [3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone (CID 154756866) is [3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for [3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for [3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone is Cn1cc(C(F)(F)F)nc1C1CCCN(C(=O)c2ncn[nH]2)C1.
What is the InChIKey of [3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is GOFRDCTYPMHVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6O/c1-21-6-9(13(14,15)16)19-11(21)8-3-2-4-22(5-8)12(23)10-17-7-18-20-10/h6-8H,2-5H2,1H3,(H,17,18,20).
What are the key properties of [3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 328.30 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 154756866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).