4-(5-fluoropyrazin-2-yl)-10-methoxy-7-thia-2,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene

C13H8FN5OS — CID 59282880

IUPAC4-(5-fluoropyrazin-2-yl)-10-methoxy-7-thia-2,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene
SMILESCOc1ccc2c(n1)sc1nc(-c3cnc(F)cn3)cn12
InChIInChI=1S/C13H8FN5OS/c1-20-11-3-2-9-12(18-11)21-13-17-8(6-19(9)13)7-4-16-10(14)5-15-7/h2-6H,1H3
InChIKeyGPEXGQZVFLDUBY-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.55
Rot. Bonds2

About 4-(5-fluoropyrazin-2-yl)-10-methoxy-7-thia-2,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene

4-(5-fluoropyrazin-2-yl)-10-methoxy-7-thia-2,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene (PubChem CID 59282880) has the molecular formula C13H8FN5OS and a molecular weight of 301.31 g/mol. Its IUPAC name is 4-(5-fluoropyrazin-2-yl)-10-methoxy-7-thia-2,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene.

Molecular Properties

Compound Name4-(5-fluoropyrazin-2-yl)-10-methoxy-7-thia-2,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene
PubChem CID59282880
Molecular FormulaC13H8FN5OS
Molecular Weight301.31 g/mol
Exact Mass301.04
IUPAC Name4-(5-fluoropyrazin-2-yl)-10-methoxy-7-thia-2,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene
SMILESCOc1ccc2c(n1)sc1nc(-c3cnc(F)cn3)cn12
InChIInChI=1S/C13H8FN5OS/c1-20-11-3-2-9-12(18-11)21-13-17-8(6-19(9)13)7-4-16-10(14)5-15-7/h2-6H,1H3
InChIKeyGPEXGQZVFLDUBY-UHFFFAOYSA-N
XLogP2.55
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(5-fluoropyrazin-2-yl)-10-methoxy-7-thia-2,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropyrazin-2-yl)-10-methoxy-7-thia-2,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene?
The IUPAC name of 4-(5-fluoropyrazin-2-yl)-10-methoxy-7-thia-2,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene (CID 59282880) is 4-(5-fluoropyrazin-2-yl)-10-methoxy-7-thia-2,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene.
What is the SMILES notation for 4-(5-fluoropyrazin-2-yl)-10-methoxy-7-thia-2,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene?
The canonical SMILES for 4-(5-fluoropyrazin-2-yl)-10-methoxy-7-thia-2,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene is COc1ccc2c(n1)sc1nc(-c3cnc(F)cn3)cn12.
What is the InChIKey of 4-(5-fluoropyrazin-2-yl)-10-methoxy-7-thia-2,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene?
The InChIKey is GPEXGQZVFLDUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN5OS/c1-20-11-3-2-9-12(18-11)21-13-17-8(6-19(9)13)7-4-16-10(14)5-15-7/h2-6H,1H3.
What are the key properties of 4-(5-fluoropyrazin-2-yl)-10-methoxy-7-thia-2,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene?
4-(5-fluoropyrazin-2-yl)-10-methoxy-7-thia-2,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene has a molecular weight of 301.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropyrazin-2-yl)-10-methoxy-7-thia-2,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene is sourced from PubChem (CID 59282880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).