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

C14H13BrN4O — CID 172880505

IUPAC7-(4-bromophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCC(C)c1nnc2c(=O)n(-c3ccc(Br)cc3)ccn12
InChIInChI=1S/C14H13BrN4O/c1-9(2)12-16-17-13-14(20)18(7-8-19(12)13)11-5-3-10(15)4-6-11/h3-9H,1-2H3
InChIKeyOYLUSPRIQCRDHK-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.77
Rot. Bonds2

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

7-(4-bromophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 172880505) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is 7-(4-bromophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(4-bromophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID172880505
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name7-(4-bromophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCC(C)c1nnc2c(=O)n(-c3ccc(Br)cc3)ccn12
InChIInChI=1S/C14H13BrN4O/c1-9(2)12-16-17-13-14(20)18(7-8-19(12)13)11-5-3-10(15)4-6-11/h3-9H,1-2H3
InChIKeyOYLUSPRIQCRDHK-UHFFFAOYSA-N
XLogP2.77
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(4-bromophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4-bromophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 172880503
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)-3-[(2-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 50806324
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-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 50806240
7-(4-fluorophenyl)-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 42585058
7-(4-bromophenyl)-2-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
CID 16813334
7-(4-bromophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-one
CID 53036440
7-(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
CID 16813336
5-(4-bromophenyl)-3-methyl-1H-imidazo[1,2-a]purine-2,9-dione
CID 632349
7-(4-chlorophenyl)-3-(2-methylprop-2-enylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 165434009
7-(3,4-dimethylphenyl)-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 163358400

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 7-(4-bromophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 172880505) is 7-(4-bromophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 7-(4-bromophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 7-(4-bromophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is CC(C)c1nnc2c(=O)n(-c3ccc(Br)cc3)ccn12.
What is the InChIKey of 7-(4-bromophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is OYLUSPRIQCRDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-9(2)12-16-17-13-14(20)18(7-8-19(12)13)11-5-3-10(15)4-6-11/h3-9H,1-2H3.
What are the key properties of 7-(4-bromophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
7-(4-bromophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 333.19 g/mol, XLogP of 2.77, 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-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 172880505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).