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

C8H10BrN5 — CID 80676331

IUPACN-(2-bromoethyl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCN(CCBr)c1nccn2cnnc12
InChIInChI=1S/C8H10BrN5/c1-13(4-2-9)7-8-12-11-6-14(8)5-3-10-7/h3,5-6H,2,4H2,1H3
InChIKeyXHNLHRAHTGLDFD-UHFFFAOYSA-N
MW256.11 g/mol
LogP0.96
Rot. Bonds3

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

N-(2-bromoethyl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 80676331) has the molecular formula C8H10BrN5 and a molecular weight of 256.11 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID80676331
Molecular FormulaC8H10BrN5
Molecular Weight256.11 g/mol
Exact Mass255.01
IUPAC NameN-(2-bromoethyl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCN(CCBr)c1nccn2cnnc12
InChIInChI=1S/C8H10BrN5/c1-13(4-2-9)7-8-12-11-6-14(8)5-3-10-7/h3,5-6H,2,4H2,1H3
InChIKeyXHNLHRAHTGLDFD-UHFFFAOYSA-N
XLogP0.96
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 50.96
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-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 102871523
N'-hydroxy-3-[propan-2-yl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]propanimidamide
CID 77024887
N-methyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 128980841
3-[2-bromoethyl(methyl)amino]-1-ethylpyrazin-2-one
CID 80675862
N-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104734078
N,N-dimethyl-2-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanamine
CID 138009063
N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 138019782
3-[2-bromoethyl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 80676762
N-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 79778885
2-[pyrrolidin-2-ylmethyl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]ethanol
CID 106621339
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

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-(2-bromoethyl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 80676331) is N-(2-bromoethyl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-(2-bromoethyl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CN(CCBr)c1nccn2cnnc12.
What is the InChIKey of N-(2-bromoethyl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is XHNLHRAHTGLDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN5/c1-13(4-2-9)7-8-12-11-6-14(8)5-3-10-7/h3,5-6H,2,4H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-(2-bromoethyl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 256.11 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 80676331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).