(2-bromo-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-cyclobutylmethanone

C10H13BrN4O — CID 125454299

IUPAC(2-bromo-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCn2nc(Br)nc2C1
InChIInChI=1S/C10H13BrN4O/c11-10-12-8-6-14(4-5-15(8)13-10)9(16)7-2-1-3-7/h7H,1-6H2
InChIKeyXODZWRKICHMFLC-UHFFFAOYSA-N
MW285.15 g/mol
LogP1.18
Rot. Bonds1

About (2-bromo-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-cyclobutylmethanone

(2-bromo-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-cyclobutylmethanone (PubChem CID 125454299) has the molecular formula C10H13BrN4O and a molecular weight of 285.15 g/mol. Its IUPAC name is (2-bromo-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-cyclobutylmethanone.

Molecular Properties

Compound Name(2-bromo-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-cyclobutylmethanone
PubChem CID125454299
Molecular FormulaC10H13BrN4O
Molecular Weight285.15 g/mol
Exact Mass284.03
IUPAC Name(2-bromo-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCn2nc(Br)nc2C1
InChIInChI=1S/C10H13BrN4O/c11-10-12-8-6-14(4-5-15(8)13-10)9(16)7-2-1-3-7/h7H,1-6H2
InChIKeyXODZWRKICHMFLC-UHFFFAOYSA-N
XLogP1.18
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-bromo-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-cyclobutylmethanone 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

aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cycloheptyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 71930214
1-tert-butyl-4-(cyclobutanecarbonyl)piperazin-2-one
CID 110873685
7-acetyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carbaldehyde
CID 82401397
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cyclopentyl-[3-[(2R)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 95833920
(4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride
CID 120818837
cyclobutyl-(4,4-dimethyl-1,4-azasilinan-1-yl)methanone
CID 90238953
cyclohexyl-[3-[(2R)-pyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 124968988

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-cyclobutylmethanone?
The IUPAC name of (2-bromo-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-cyclobutylmethanone (CID 125454299) is (2-bromo-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-cyclobutylmethanone.
What is the SMILES notation for (2-bromo-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-cyclobutylmethanone?
The canonical SMILES for (2-bromo-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-cyclobutylmethanone is O=C(C1CCC1)N1CCn2nc(Br)nc2C1.
What is the InChIKey of (2-bromo-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-cyclobutylmethanone?
The InChIKey is XODZWRKICHMFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O/c11-10-12-8-6-14(4-5-15(8)13-10)9(16)7-2-1-3-7/h7H,1-6H2.
What are the key properties of (2-bromo-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-cyclobutylmethanone?
(2-bromo-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-cyclobutylmethanone has a molecular weight of 285.15 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-cyclobutylmethanone is sourced from PubChem (CID 125454299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).