5,6-diethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,2,4-triazine

C16H21F3N6 — CID 100664290

IUPAC5,6-diethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,2,4-triazine
SMILESCCc1nnc(N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)nc1CC
InChIInChI=1S/C16H21F3N6/c1-3-11-12(4-2)23-24-15(21-11)25-7-5-6-10(9-25)14-20-8-13(22-14)16(17,18)19/h8,10H,3-7,9H2,1-2H3,(H,20,22)/t10-/m0/s1
InChIKeyWMPKYYZSGJGPCD-JTQLQIEISA-N
MW354.38 g/mol
LogP3.12
Rot. Bonds4

About 5,6-diethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,2,4-triazine

5,6-diethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,2,4-triazine (PubChem CID 100664290) has the molecular formula C16H21F3N6 and a molecular weight of 354.38 g/mol. Its IUPAC name is 5,6-diethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,2,4-triazine.

Molecular Properties

Compound Name5,6-diethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,2,4-triazine
PubChem CID100664290
Molecular FormulaC16H21F3N6
Molecular Weight354.38 g/mol
Exact Mass354.18
IUPAC Name5,6-diethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,2,4-triazine
SMILESCCc1nnc(N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)nc1CC
InChIInChI=1S/C16H21F3N6/c1-3-11-12(4-2)23-24-15(21-11)25-7-5-6-10(9-25)14-20-8-13(22-14)16(17,18)19/h8,10H,3-7,9H2,1-2H3,(H,20,22)/t10-/m0/s1
InChIKeyWMPKYYZSGJGPCD-JTQLQIEISA-N
XLogP3.12
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,2,4-triazine?
The IUPAC name of 5,6-diethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,2,4-triazine (CID 100664290) is 5,6-diethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,2,4-triazine.
What is the SMILES notation for 5,6-diethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,2,4-triazine?
The canonical SMILES for 5,6-diethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,2,4-triazine is CCc1nnc(N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)nc1CC.
What is the InChIKey of 5,6-diethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,2,4-triazine?
The InChIKey is WMPKYYZSGJGPCD-JTQLQIEISA-N. The full InChI is InChI=1S/C16H21F3N6/c1-3-11-12(4-2)23-24-15(21-11)25-7-5-6-10(9-25)14-20-8-13(22-14)16(17,18)19/h8,10H,3-7,9H2,1-2H3,(H,20,22)/t10-/m0/s1.
What are the key properties of 5,6-diethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,2,4-triazine?
5,6-diethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,2,4-triazine has a molecular weight of 354.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,2,4-triazine is sourced from PubChem (CID 100664290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).