N-(2-bromoethyl)-N-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C11H14BrN5 — CID 102871523

IUPACN-(2-bromoethyl)-N-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESBrCCN(c1nccn2cnnc12)C1CCC1
InChIInChI=1S/C11H14BrN5/c12-4-6-17(9-2-1-3-9)10-11-15-14-8-16(11)7-5-13-10/h5,7-9H,1-4,6H2
InChIKeySRSPQSDFJRJEBY-UHFFFAOYSA-N
MW296.17 g/mol
LogP1.88
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-(2-bromoethyl)-N-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 102871523) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID102871523
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC NameN-(2-bromoethyl)-N-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESBrCCN(c1nccn2cnnc12)C1CCC1
InChIInChI=1S/C11H14BrN5/c12-4-6-17(9-2-1-3-9)10-11-15-14-8-16(11)7-5-13-10/h5,7-9H,1-4,6H2
InChIKeySRSPQSDFJRJEBY-UHFFFAOYSA-N
XLogP1.88
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 80676331
N-(2-bromoethyl)-N-cyclopropyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 80667013
2-[pyrrolidin-2-ylmethyl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]ethanol
CID 106621339
3-[2-bromoethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 80668768
N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine
CID 80668380
N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridin-2-amine
CID 80669537
N-(3-bromopropyl)-N-cyclobutylpyrazolo[1,5-a]pyrazin-4-amine
CID 102871209
8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 80673667
N,N-dimethyl-2-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanamine
CID 138009063
N-(2-bromoethyl)-N-cyclobutylimidazo[1,2-a]pyridin-5-amine
CID 102871570
N-(2-bromoethyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 80668669
N-(2-bromoethyl)-N-cyclobutyl-3-propan-2-yloxypyridin-2-amine
CID 102871649

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 102871523) is N-(2-bromoethyl)-N-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-(2-bromoethyl)-N-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is BrCCN(c1nccn2cnnc12)C1CCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is SRSPQSDFJRJEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c12-4-6-17(9-2-1-3-9)10-11-15-14-8-16(11)7-5-13-10/h5,7-9H,1-4,6H2.
What are the key properties of N-(2-bromoethyl)-N-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-(2-bromoethyl)-N-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 296.17 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 102871523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).