7-(4-bromophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C13H11BrN4O — CID 172880503

IUPAC7-(4-bromophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCc1nnc2c(=O)n(-c3ccc(Br)cc3)ccn12
InChIInChI=1S/C13H11BrN4O/c1-2-11-15-16-12-13(19)17(7-8-18(11)12)10-5-3-9(14)4-6-10/h3-8H,2H2,1H3
InChIKeyMJRBFIMCYHJISY-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.21
Rot. Bonds2

About 7-(4-bromophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one

7-(4-bromophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 172880503) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 7-(4-bromophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(4-bromophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID172880503
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name7-(4-bromophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCc1nnc2c(=O)n(-c3ccc(Br)cc3)ccn12
InChIInChI=1S/C13H11BrN4O/c1-2-11-15-16-12-13(19)17(7-8-18(11)12)10-5-3-9(14)4-6-10/h3-8H,2H2,1H3
InChIKeyMJRBFIMCYHJISY-UHFFFAOYSA-N
XLogP2.21
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-bromophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 172880505
7-(4-fluorophenyl)-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 42585058
7-(3,4-dimethylphenyl)-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 163358400
7-(4-bromophenyl)-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 50806268
7-(4-bromophenyl)-3-[(2-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 50806324
7-(4-bromophenyl)-3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 50806240
7-(4-bromophenyl)-2-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
CID 16813334
7-(4-bromophenyl)-3-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 50806267
7-(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
CID 16813336
N-[(4-methoxyphenyl)methyl]-3-[7-(4-methoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]propanamide
CID 20949152
2-[[7-(4-ethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]acetamide
CID 50806383
(3S)-4-[7-(4-ethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-(2-phenylethyl)butanamide
CID 94079693

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 7-(4-bromophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 172880503) is 7-(4-bromophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 7-(4-bromophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 7-(4-bromophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is CCc1nnc2c(=O)n(-c3ccc(Br)cc3)ccn12.
What is the InChIKey of 7-(4-bromophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is MJRBFIMCYHJISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-2-11-15-16-12-13(19)17(7-8-18(11)12)10-5-3-9(14)4-6-10/h3-8H,2H2,1H3.
What are the key properties of 7-(4-bromophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
7-(4-bromophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 319.16 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 172880503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).