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

C12H13F3N6O — CID 100668464

IUPAC1H-1,2,4-triazol-5-yl-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ncn[nH]1)N1CCC[C@@H](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)/t7-/m1/s1
InChIKeyYYPVZKWBGISGGJ-SSDOTTSWSA-N
MW314.27 g/mol
LogP1.57
Rot. Bonds2

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

1H-1,2,4-triazol-5-yl-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 100668464) 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-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-1,2,4-triazol-5-yl-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID100668464
Molecular FormulaC12H13F3N6O
Molecular Weight314.27 g/mol
Exact Mass314.11
IUPAC Name1H-1,2,4-triazol-5-yl-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ncn[nH]1)N1CCC[C@@H](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)/t7-/m1/s1
InChIKeyYYPVZKWBGISGGJ-SSDOTTSWSA-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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Related Compounds

1-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 129346399
[(3S)-3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-[3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]methanone
CID 175974905
(1-methylimidazol-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 71989236
1H-1,2,4-triazol-5-yl-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 100668453
4-methyl-2-[2-oxo-2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]-1,2,4-triazol-3-one
CID 100668478
4-methyl-2-[2-oxo-2-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]-1,2,4-triazol-3-one
CID 100668489
(3S)-1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 100670202
(3R)-1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 100670215
(3S)-1-[(1-methyltetrazol-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 100670349
(3R)-1-[(1-methyltetrazol-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 100670358
(3S)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 100733807
(3R)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 100733814

Frequently Asked Questions

What is the IUPAC name of 1H-1,2,4-triazol-5-yl-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of 1H-1,2,4-triazol-5-yl-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (CID 100668464) is 1H-1,2,4-triazol-5-yl-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-1,2,4-triazol-5-yl-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for 1H-1,2,4-triazol-5-yl-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is O=C(c1ncn[nH]1)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1.
What is the InChIKey of 1H-1,2,4-triazol-5-yl-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is YYPVZKWBGISGGJ-SSDOTTSWSA-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)/t7-/m1/s1.
What are the key properties of 1H-1,2,4-triazol-5-yl-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
1H-1,2,4-triazol-5-yl-[(3R)-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-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 100668464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).