7-(1-phenyltetrazol-5-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C13H11F3N8 — CID 84584453

IUPAC7-(1-phenyltetrazol-5-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1nnc2n1CCN(c1nnnn1-c1ccccc1)C2
InChIInChI=1S/C13H11F3N8/c14-13(15,16)11-18-17-10-8-22(6-7-23(10)11)12-19-20-21-24(12)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyJRRABEKGTHPZKH-UHFFFAOYSA-N
MW336.28 g/mol
LogP1.29
Rot. Bonds2

About 7-(1-phenyltetrazol-5-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-(1-phenyltetrazol-5-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 84584453) has the molecular formula C13H11F3N8 and a molecular weight of 336.28 g/mol. Its IUPAC name is 7-(1-phenyltetrazol-5-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(1-phenyltetrazol-5-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID84584453
Molecular FormulaC13H11F3N8
Molecular Weight336.28 g/mol
Exact Mass336.11
IUPAC Name7-(1-phenyltetrazol-5-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1nnc2n1CCN(c1nnnn1-c1ccccc1)C2
InChIInChI=1S/C13H11F3N8/c14-13(15,16)11-18-17-10-8-22(6-7-23(10)11)12-19-20-21-24(12)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyJRRABEKGTHPZKH-UHFFFAOYSA-N
XLogP1.29
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(1-phenyltetrazol-5-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(1-phenyltetrazol-5-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 84584453) is 7-(1-phenyltetrazol-5-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(1-phenyltetrazol-5-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(1-phenyltetrazol-5-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is FC(F)(F)c1nnc2n1CCN(c1nnnn1-c1ccccc1)C2.
What is the InChIKey of 7-(1-phenyltetrazol-5-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is JRRABEKGTHPZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N8/c14-13(15,16)11-18-17-10-8-22(6-7-23(10)11)12-19-20-21-24(12)9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 7-(1-phenyltetrazol-5-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(1-phenyltetrazol-5-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 336.28 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-phenyltetrazol-5-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 84584453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).