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

C14H14F3N7 — CID 100664510

IUPAC8-[(3R)-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-/m1/s1
InChIKeySSTSGVZMZCPBET-SECBINFHSA-N
MW337.31 g/mol
LogP2.25
Rot. Bonds2

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

8-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 100664510) has the molecular formula C14H14F3N7 and a molecular weight of 337.31 g/mol. Its IUPAC name is 8-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID100664510
Molecular FormulaC14H14F3N7
Molecular Weight337.31 g/mol
Exact Mass337.13
IUPAC Name8-[(3R)-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-/m1/s1
InChIKeySSTSGVZMZCPBET-SECBINFHSA-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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Frequently Asked Questions

What is the IUPAC name of 8-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 100664510) is 8-[(3R)-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-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-[(3R)-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-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is SSTSGVZMZCPBET-SECBINFHSA-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-/m1/s1.
What are the key properties of 8-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
8-[(3R)-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-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 100664510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).