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

C22H19FN6 — CID 168957858

IUPAC3-(5-fluoro-3-pyridinyl)-7-[phenyl(pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cncc(-c2nnc3n2CCN(C(c2ccccc2)c2cccnc2)C3)c1
InChIInChI=1S/C22H19FN6/c23-19-11-18(13-25-14-19)22-27-26-20-15-28(9-10-29(20)22)21(16-5-2-1-3-6-16)17-7-4-8-24-12-17/h1-8,11-14,21H,9-10,15H2
InChIKeyCJZQOCINVKTNGD-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.48
Rot. Bonds4

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

3-(5-fluoro-3-pyridinyl)-7-[phenyl(pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 168957858) has the molecular formula C22H19FN6 and a molecular weight of 386.43 g/mol. Its IUPAC name is 3-(5-fluoro-3-pyridinyl)-7-[phenyl(pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(5-fluoro-3-pyridinyl)-7-[phenyl(pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID168957858
Molecular FormulaC22H19FN6
Molecular Weight386.43 g/mol
Exact Mass386.17
IUPAC Name3-(5-fluoro-3-pyridinyl)-7-[phenyl(pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cncc(-c2nnc3n2CCN(C(c2ccccc2)c2cccnc2)C3)c1
InChIInChI=1S/C22H19FN6/c23-19-11-18(13-25-14-19)22-27-26-20-15-28(9-10-29(20)22)21(16-5-2-1-3-6-16)17-7-4-8-24-12-17/h1-8,11-14,21H,9-10,15H2
InChIKeyCJZQOCINVKTNGD-UHFFFAOYSA-N
XLogP3.48
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-pyridinyl)-7-[phenyl(pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(5-fluoro-3-pyridinyl)-7-[phenyl(pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 168957858) is 3-(5-fluoro-3-pyridinyl)-7-[phenyl(pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(5-fluoro-3-pyridinyl)-7-[phenyl(pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(5-fluoro-3-pyridinyl)-7-[phenyl(pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Fc1cncc(-c2nnc3n2CCN(C(c2ccccc2)c2cccnc2)C3)c1.
What is the InChIKey of 3-(5-fluoro-3-pyridinyl)-7-[phenyl(pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is CJZQOCINVKTNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6/c23-19-11-18(13-25-14-19)22-27-26-20-15-28(9-10-29(20)22)21(16-5-2-1-3-6-16)17-7-4-8-24-12-17/h1-8,11-14,21H,9-10,15H2.
What are the key properties of 3-(5-fluoro-3-pyridinyl)-7-[phenyl(pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-(5-fluoro-3-pyridinyl)-7-[phenyl(pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 386.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3-pyridinyl)-7-[phenyl(pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 168957858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).