8-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

C13H13FN8 — CID 166605117

IUPAC8-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cncnc1N1CCN(c2nccn3cnnc23)CC1
InChIInChI=1S/C13H13FN8/c14-10-7-15-8-17-11(10)20-3-5-21(6-4-20)12-13-19-18-9-22(13)2-1-16-12/h1-2,7-9H,3-6H2
InChIKeyGCKMCIDWMYGTCM-UHFFFAOYSA-N
MW300.30 g/mol
LogP0.38
Rot. Bonds2

About 8-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

8-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 166605117) has the molecular formula C13H13FN8 and a molecular weight of 300.30 g/mol. Its IUPAC name is 8-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID166605117
Molecular FormulaC13H13FN8
Molecular Weight300.30 g/mol
Exact Mass300.12
IUPAC Name8-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cncnc1N1CCN(c2nccn3cnnc23)CC1
InChIInChI=1S/C13H13FN8/c14-10-7-15-8-17-11(10)20-3-5-21(6-4-20)12-13-19-18-9-22(13)2-1-16-12/h1-2,7-9H,3-6H2
InChIKeyGCKMCIDWMYGTCM-UHFFFAOYSA-N
XLogP0.38
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 166605117) is 8-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is Fc1cncnc1N1CCN(c2nccn3cnnc23)CC1.
What is the InChIKey of 8-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is GCKMCIDWMYGTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN8/c14-10-7-15-8-17-11(10)20-3-5-21(6-4-20)12-13-19-18-9-22(13)2-1-16-12/h1-2,7-9H,3-6H2.
What are the key properties of 8-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
8-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 300.30 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 166605117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).