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

C14H13BrN8 — CID 172903289

IUPAC8-[5-(5-bromopyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESBrc1cnc(N2CC3CC2CN3c2nccn3cnnc23)nc1
InChIInChI=1S/C14H13BrN8/c15-9-4-17-14(18-5-9)23-7-10-3-11(23)6-22(10)12-13-20-19-8-21(13)2-1-16-12/h1-2,4-5,8,10-11H,3,6-7H2
InChIKeyBZCZLTKQFCRATD-UHFFFAOYSA-N
MW373.22 g/mol
LogP1.14
Rot. Bonds2

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

8-[5-(5-bromopyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 172903289) has the molecular formula C14H13BrN8 and a molecular weight of 373.22 g/mol. Its IUPAC name is 8-[5-(5-bromopyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-[5-(5-bromopyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID172903289
Molecular FormulaC14H13BrN8
Molecular Weight373.22 g/mol
Exact Mass372.04
IUPAC Name8-[5-(5-bromopyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESBrc1cnc(N2CC3CC2CN3c2nccn3cnnc23)nc1
InChIInChI=1S/C14H13BrN8/c15-9-4-17-14(18-5-9)23-7-10-3-11(23)6-22(10)12-13-20-19-8-21(13)2-1-16-12/h1-2,4-5,8,10-11H,3,6-7H2
InChIKeyBZCZLTKQFCRATD-UHFFFAOYSA-N
XLogP1.14
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.22
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[5-(5-bromopyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

8-[5-(5-fluoropyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 175650671
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
8-[5-[(2,4-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 172903860
3-fluoro-4-[[5-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzonitrile
CID 172903383
8-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 124730441
8-[(3aS,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 97218843
8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 80673667
N-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine
CID 171326342
8-[(3aR,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 97218844
cis-(1R,2S)-2-[(2R)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 129480645
[4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-2-yl]methanamine
CID 80506375
8-(4-chloro-3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 114682577

Frequently Asked Questions

What is the IUPAC name of 8-[5-(5-bromopyrimidin-2-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-bromopyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 172903289) is 8-[5-(5-bromopyrimidin-2-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-bromopyrimidin-2-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-bromopyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine is Brc1cnc(N2CC3CC2CN3c2nccn3cnnc23)nc1.
What is the InChIKey of 8-[5-(5-bromopyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is BZCZLTKQFCRATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN8/c15-9-4-17-14(18-5-9)23-7-10-3-11(23)6-22(10)12-13-20-19-8-21(13)2-1-16-12/h1-2,4-5,8,10-11H,3,6-7H2.
What are the key properties of 8-[5-(5-bromopyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
8-[5-(5-bromopyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 373.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(5-bromopyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 172903289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).