8-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

C15H16F3N7 — CID 128977583

IUPAC8-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCn1cc(C(F)(F)F)nc1C1CCCN(c2nccn3cnnc23)C1
InChIInChI=1S/C15H16F3N7/c1-23-8-11(15(16,17)18)21-12(23)10-3-2-5-24(7-10)13-14-22-20-9-25(14)6-4-19-13/h4,6,8-10H,2-3,5,7H2,1H3
InChIKeyOIANPAYJJZKITE-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.26
Rot. Bonds2

About 8-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

8-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 128977583) has the molecular formula C15H16F3N7 and a molecular weight of 351.34 g/mol. Its IUPAC name is 8-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID128977583
Molecular FormulaC15H16F3N7
Molecular Weight351.34 g/mol
Exact Mass351.14
IUPAC Name8-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCn1cc(C(F)(F)F)nc1C1CCCN(c2nccn3cnnc23)C1
InChIInChI=1S/C15H16F3N7/c1-23-8-11(15(16,17)18)21-12(23)10-3-2-5-24(7-10)13-14-22-20-9-25(14)6-4-19-13/h4,6,8-10H,2-3,5,7H2,1H3
InChIKeyOIANPAYJJZKITE-UHFFFAOYSA-N
XLogP2.26
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 129351066
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
CID 128978577
5-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile
CID 128977569
8-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 124886974
8-(4-chloro-3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 114682577
8-pyrrolidin-1-yl-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 166604624
(1-methylpyrazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 129346418
8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 80673667
N-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine
CID 171326342
3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-(oxetan-3-ylsulfonyl)piperidine
CID 154795526
3-chloro-2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 42956348
(5-methylpyrazin-2-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128979420

Frequently Asked Questions

What is the IUPAC name of 8-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 128977583) is 8-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is Cn1cc(C(F)(F)F)nc1C1CCCN(c2nccn3cnnc23)C1.
What is the InChIKey of 8-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is OIANPAYJJZKITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N7/c1-23-8-11(15(16,17)18)21-12(23)10-3-2-5-24(7-10)13-14-22-20-9-25(14)6-4-19-13/h4,6,8-10H,2-3,5,7H2,1H3.
What are the key properties of 8-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
8-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 351.34 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 128977583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).