2-(tribromomethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C6H3Br3N4 — CID 150537386

IUPAC2-(tribromomethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESBrC(Br)(Br)c1nc2ncccn2n1
InChIInChI=1S/C6H3Br3N4/c7-6(8,9)4-11-5-10-2-1-3-13(5)12-4/h1-3H
InChIKeyIFCZPEMPFGPAIL-UHFFFAOYSA-N
MW370.83 g/mol
LogP2.42
Rot. Bonds

About 2-(tribromomethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

2-(tribromomethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 150537386) has the molecular formula C6H3Br3N4 and a molecular weight of 370.83 g/mol. Its IUPAC name is 2-(tribromomethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(tribromomethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID150537386
Molecular FormulaC6H3Br3N4
Molecular Weight370.83 g/mol
Exact Mass367.79
IUPAC Name2-(tribromomethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESBrC(Br)(Br)c1nc2ncccn2n1
InChIInChI=1S/C6H3Br3N4/c7-6(8,9)4-11-5-10-2-1-3-13(5)12-4/h1-3H
InChIKeyIFCZPEMPFGPAIL-UHFFFAOYSA-N
XLogP2.42
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 90849643
2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 155817864
2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 51111566
2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 84671641
2-(2-tert-butyl-6-methylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 56793772
2-ethynyl-[1,2,4]triazolo[1,5-a]pyrimidine;toluene
CID 88532759
butyl [1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2068816
2-(2-phenylethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 134010697
N-hexyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315776
5-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1H-pyridin-2-one
CID 135966836
2-[2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 166831895
2-tert-butyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
CID 71993039

Frequently Asked Questions

What is the IUPAC name of 2-(tribromomethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(tribromomethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 150537386) is 2-(tribromomethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(tribromomethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(tribromomethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is BrC(Br)(Br)c1nc2ncccn2n1.
What is the InChIKey of 2-(tribromomethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is IFCZPEMPFGPAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br3N4/c7-6(8,9)4-11-5-10-2-1-3-13(5)12-4/h1-3H.
What are the key properties of 2-(tribromomethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
2-(tribromomethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 370.83 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tribromomethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 150537386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).