3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine-2-carbonitrile

C14H13F3N6 — CID 71996185

IUPAC3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C14H13F3N6/c15-14(16,17)11-8-21-12(22-11)9-1-5-23(6-2-9)13-10(7-18)19-3-4-20-13/h3-4,8-9H,1-2,5-6H2,(H,21,22)
InChIKeyOXEVBZUABXPCJM-UHFFFAOYSA-N
MW322.29 g/mol
LogP2.47
Rot. Bonds2

About 3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine-2-carbonitrile

3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 71996185) has the molecular formula C14H13F3N6 and a molecular weight of 322.29 g/mol. Its IUPAC name is 3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID71996185
Molecular FormulaC14H13F3N6
Molecular Weight322.29 g/mol
Exact Mass322.12
IUPAC Name3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C14H13F3N6/c15-14(16,17)11-8-21-12(22-11)9-1-5-23(6-2-9)13-10(7-18)19-3-4-20-13/h3-4,8-9H,1-2,5-6H2,(H,21,22)
InChIKeyOXEVBZUABXPCJM-UHFFFAOYSA-N
XLogP2.47
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 43650966
3-[2-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile
CID 71978663
2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 72119933
4-(5-(trifluoromethyl)-1H-imidazol-2-yl)piperidine dihydrochloride
CID 132342161
2-chloro-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine
CID 72119929
1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 86803437
3-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 129610712
2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine
CID 132380301
4-[4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 43650706
4-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]piperidine
CID 61029366
4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine;hydrochloride
CID 118295278
1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 118303263

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine-2-carbonitrile (CID 71996185) is 3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1.
What is the InChIKey of 3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is OXEVBZUABXPCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N6/c15-14(16,17)11-8-21-12(22-11)9-1-5-23(6-2-9)13-10(7-18)19-3-4-20-13/h3-4,8-9H,1-2,5-6H2,(H,21,22).
What are the key properties of 3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine-2-carbonitrile?
3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 322.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 71996185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).