4-[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]thiomorpholine

C15H14FN5S — CID 171690665

IUPAC4-[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]thiomorpholine
SMILESFc1cccc(-c2nnc3c(N4CCSCC4)nccn23)c1
InChIInChI=1S/C15H14FN5S/c16-12-3-1-2-11(10-12)13-18-19-15-14(17-4-5-21(13)15)20-6-8-22-9-7-20/h1-5,10H,6-9H2
InChIKeyNLTPSFXIXVDQBG-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.48
Rot. Bonds2

About 4-[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]thiomorpholine

4-[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]thiomorpholine (PubChem CID 171690665) has the molecular formula C15H14FN5S and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]thiomorpholine.

Molecular Properties

Compound Name4-[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]thiomorpholine
PubChem CID171690665
Molecular FormulaC15H14FN5S
Molecular Weight315.38 g/mol
Exact Mass315.10
IUPAC Name4-[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]thiomorpholine
SMILESFc1cccc(-c2nnc3c(N4CCSCC4)nccn23)c1
InChIInChI=1S/C15H14FN5S/c16-12-3-1-2-11(10-12)13-18-19-15-14(17-4-5-21(13)15)20-6-8-22-9-7-20/h1-5,10H,6-9H2
InChIKeyNLTPSFXIXVDQBG-UHFFFAOYSA-N
XLogP2.48
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]thiomorpholine?
The IUPAC name of 4-[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]thiomorpholine (CID 171690665) is 4-[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]thiomorpholine.
What is the SMILES notation for 4-[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]thiomorpholine?
The canonical SMILES for 4-[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]thiomorpholine is Fc1cccc(-c2nnc3c(N4CCSCC4)nccn23)c1.
What is the InChIKey of 4-[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]thiomorpholine?
The InChIKey is NLTPSFXIXVDQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5S/c16-12-3-1-2-11(10-12)13-18-19-15-14(17-4-5-21(13)15)20-6-8-22-9-7-20/h1-5,10H,6-9H2.
What are the key properties of 4-[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]thiomorpholine?
4-[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]thiomorpholine has a molecular weight of 315.38 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]thiomorpholine is sourced from PubChem (CID 171690665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).