8-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

C14H14F3N7 — CID 100664525

IUPAC8-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1cnc([C@H]2CCCN(c3nccn4cnnc34)C2)[nH]1
InChIInChI=1S/C14H14F3N7/c15-14(16,17)10-6-19-11(21-10)9-2-1-4-23(7-9)12-13-22-20-8-24(13)5-3-18-12/h3,5-6,8-9H,1-2,4,7H2,(H,19,21)/t9-/m0/s1
InChIKeySSTSGVZMZCPBET-VIFPVBQESA-N
MW337.31 g/mol
LogP2.25
Rot. Bonds2

About 8-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

8-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 100664525) has the molecular formula C14H14F3N7 and a molecular weight of 337.31 g/mol. Its IUPAC name is 8-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID100664525
Molecular FormulaC14H14F3N7
Molecular Weight337.31 g/mol
Exact Mass337.13
IUPAC Name8-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1cnc([C@H]2CCCN(c3nccn4cnnc34)C2)[nH]1
InChIInChI=1S/C14H14F3N7/c15-14(16,17)10-6-19-11(21-10)9-2-1-4-23(7-9)12-13-22-20-8-24(13)5-3-18-12/h3,5-6,8-9H,1-2,4,7H2,(H,19,21)/t9-/m0/s1
InChIKeySSTSGVZMZCPBET-VIFPVBQESA-N
XLogP2.25
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 71996189
3-(3,3-Dimethylpiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 138684332
6-[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine
CID 168210363
8-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 100664510
(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
(3S)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 100736394
(3R)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 100736404

Frequently Asked Questions

What is the IUPAC name of 8-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 100664525) is 8-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is FC(F)(F)c1cnc([C@H]2CCCN(c3nccn4cnnc34)C2)[nH]1.
What is the InChIKey of 8-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is SSTSGVZMZCPBET-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14F3N7/c15-14(16,17)10-6-19-11(21-10)9-2-1-4-23(7-9)12-13-22-20-8-24(13)5-3-18-12/h3,5-6,8-9H,1-2,4,7H2,(H,19,21)/t9-/m0/s1.
What are the key properties of 8-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
8-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 337.31 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 100664525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).