8-[5-(5-fluoropyrimidin-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine

C14H13FN8 — CID 175650670

IUPAC8-[5-(5-fluoropyrimidin-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cncnc1N1CC2CC1CN2c1nccn2cnnc12
InChIInChI=1S/C14H13FN8/c15-11-4-16-7-18-12(11)22-5-10-3-9(22)6-23(10)13-14-20-19-8-21(14)2-1-17-13/h1-2,4,7-10H,3,5-6H2
InChIKeyCUIOJWKUKZGLLY-UHFFFAOYSA-N
MW312.31 g/mol
LogP0.52
Rot. Bonds2

About 8-[5-(5-fluoropyrimidin-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine

8-[5-(5-fluoropyrimidin-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 175650670) has the molecular formula C14H13FN8 and a molecular weight of 312.31 g/mol. Its IUPAC name is 8-[5-(5-fluoropyrimidin-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-[5-(5-fluoropyrimidin-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID175650670
Molecular FormulaC14H13FN8
Molecular Weight312.31 g/mol
Exact Mass312.12
IUPAC Name8-[5-(5-fluoropyrimidin-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cncnc1N1CC2CC1CN2c1nccn2cnnc12
InChIInChI=1S/C14H13FN8/c15-11-4-16-7-18-12(11)22-5-10-3-9(22)6-23(10)13-14-20-19-8-21(14)2-1-17-13/h1-2,4,7-10H,3,5-6H2
InChIKeyCUIOJWKUKZGLLY-UHFFFAOYSA-N
XLogP0.52
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(5-fluoropyrimidin-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-[5-(5-fluoropyrimidin-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 175650670) is 8-[5-(5-fluoropyrimidin-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-[5-(5-fluoropyrimidin-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-[5-(5-fluoropyrimidin-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine is Fc1cncnc1N1CC2CC1CN2c1nccn2cnnc12.
What is the InChIKey of 8-[5-(5-fluoropyrimidin-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is CUIOJWKUKZGLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN8/c15-11-4-16-7-18-12(11)22-5-10-3-9(22)6-23(10)13-14-20-19-8-21(14)2-1-17-13/h1-2,4,7-10H,3,5-6H2.
What are the key properties of 8-[5-(5-fluoropyrimidin-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
8-[5-(5-fluoropyrimidin-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 312.31 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(5-fluoropyrimidin-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 175650670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).