2-(bromomethyl)-5-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholine

C12H16BrN5O — CID 81209530

IUPAC2-(bromomethyl)-5-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholine
SMILESCc1nnc2c(N3CC(CBr)OCC3C)nccn12
InChIInChI=1S/C12H16BrN5O/c1-8-7-19-10(5-13)6-18(8)11-12-16-15-9(2)17(12)4-3-14-11/h3-4,8,10H,5-7H2,1-2H3
InChIKeyUYXBMMJNJSQWNI-UHFFFAOYSA-N
MW326.20 g/mol
LogP1.42
Rot. Bonds2

About 2-(bromomethyl)-5-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholine

2-(bromomethyl)-5-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholine (PubChem CID 81209530) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is 2-(bromomethyl)-5-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-5-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholine
PubChem CID81209530
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name2-(bromomethyl)-5-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholine
SMILESCc1nnc2c(N3CC(CBr)OCC3C)nccn12
InChIInChI=1S/C12H16BrN5O/c1-8-7-19-10(5-13)6-18(8)11-12-16-15-9(2)17(12)4-3-14-11/h3-4,8,10H,5-7H2,1-2H3
InChIKeyUYXBMMJNJSQWNI-UHFFFAOYSA-N
XLogP1.42
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(bromomethyl)-5-methylmorpholin-4-yl]-1-methylpyrazin-2-one
CID 81210569
2-(bromomethyl)-5-methyl-4-(1,3-thiazol-2-yl)morpholine
CID 81210210
N-methyl-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholin-3-yl]methanamine
CID 83105530
8-(2,5-diethylpiperazin-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 64979253
2-(bromomethyl)-5-methyl-4-quinolin-4-ylmorpholine
CID 81210918
3-methyl-8-[5-[(2-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 175650622
N-(2-bromoethyl)-N-cyclopropyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 80667013
3-methyl-8-[5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 172903164
2-(bromomethyl)-5-methyl-4-(4-propan-2-yloxypyrimidin-2-yl)morpholine
CID 112639426
(4-imidazo[1,2-a]pyridin-5-yl-5-methylmorpholin-2-yl)methanol
CID 102626635
8-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 103198327
3-[2-(chloromethyl)-5-methylmorpholin-4-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 81209983

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholine?
The IUPAC name of 2-(bromomethyl)-5-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholine (CID 81209530) is 2-(bromomethyl)-5-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholine.
What is the SMILES notation for 2-(bromomethyl)-5-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholine?
The canonical SMILES for 2-(bromomethyl)-5-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholine is Cc1nnc2c(N3CC(CBr)OCC3C)nccn12.
What is the InChIKey of 2-(bromomethyl)-5-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholine?
The InChIKey is UYXBMMJNJSQWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-8-7-19-10(5-13)6-18(8)11-12-16-15-9(2)17(12)4-3-14-11/h3-4,8,10H,5-7H2,1-2H3.
What are the key properties of 2-(bromomethyl)-5-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholine?
2-(bromomethyl)-5-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholine has a molecular weight of 326.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholine is sourced from PubChem (CID 81209530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).