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

C18H16F3N5 — CID 134790857

IUPAC3-pyridin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1ccc(CN2CCn3c(nnc3-c3ccncc3)C2)cc1
InChIInChI=1S/C18H16F3N5/c19-18(20,21)15-3-1-13(2-4-15)11-25-9-10-26-16(12-25)23-24-17(26)14-5-7-22-8-6-14/h1-8H,9-12H2
InChIKeyPPQZROCVQNQITH-UHFFFAOYSA-N
MW359.36 g/mol
LogP3.37
Rot. Bonds3

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

3-pyridin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134790857) has the molecular formula C18H16F3N5 and a molecular weight of 359.36 g/mol. Its IUPAC name is 3-pyridin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-pyridin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134790857
Molecular FormulaC18H16F3N5
Molecular Weight359.36 g/mol
Exact Mass359.14
IUPAC Name3-pyridin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1ccc(CN2CCn3c(nnc3-c3ccncc3)C2)cc1
InChIInChI=1S/C18H16F3N5/c19-18(20,21)15-3-1-13(2-4-15)11-25-9-10-26-16(12-25)23-24-17(26)14-5-7-22-8-6-14/h1-8H,9-12H2
InChIKeyPPQZROCVQNQITH-UHFFFAOYSA-N
XLogP3.37
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-pyridin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 134790857) is 3-pyridin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-pyridin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-pyridin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is FC(F)(F)c1ccc(CN2CCn3c(nnc3-c3ccncc3)C2)cc1.
What is the InChIKey of 3-pyridin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is PPQZROCVQNQITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5/c19-18(20,21)15-3-1-13(2-4-15)11-25-9-10-26-16(12-25)23-24-17(26)14-5-7-22-8-6-14/h1-8H,9-12H2.
What are the key properties of 3-pyridin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-pyridin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 359.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134790857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).