5-bromo-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine

C6H6BrN5 — CID 82391294

IUPAC5-bromo-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
SMILESCc1nc2cc(N)nc(Br)n2n1
InChIInChI=1S/C6H6BrN5/c1-3-9-5-2-4(8)10-6(7)12(5)11-3/h2H,8H2,1H3
InChIKeyUAZDJQFRUYYVRG-UHFFFAOYSA-N
MW228.05 g/mol
LogP0.78
Rot. Bonds

About 5-bromo-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine

5-bromo-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine (PubChem CID 82391294) has the molecular formula C6H6BrN5 and a molecular weight of 228.05 g/mol. Its IUPAC name is 5-bromo-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine.

Molecular Properties

Compound Name5-bromo-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
PubChem CID82391294
Molecular FormulaC6H6BrN5
Molecular Weight228.05 g/mol
Exact Mass226.98
IUPAC Name5-bromo-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
SMILESCc1nc2cc(N)nc(Br)n2n1
InChIInChI=1S/C6H6BrN5/c1-3-9-5-2-4(8)10-6(7)12(5)11-3/h2H,8H2,1H3
InChIKeyUAZDJQFRUYYVRG-UHFFFAOYSA-N
XLogP0.78
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.05
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 12603825
4-bromopyrazolo[1,5-a][1,3,5]triazin-7-amine
CID 75355565
5-bromo-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589685
4-methylpyridine-2,6-diamine
CID 3015981
5-chloro-2,6-dimethyl-[1,2,4]triazolo[1,5-a]pyridine;ethane
CID 142337592
6-imidazol-1-yl-2-methylpyrimidin-4-amine
CID 80854231
7-ethyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 165473739
8-amino-3-methyl-2-phenoxypyrimido[1,6-b][1,2,4]triazine-6-thione
CID 1491832
6-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 165483147
2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 67064608
7-chloro-2,6-dimethylpyrazolo[1,5-a]pyrimidin-5-amine
CID 58206890
CID 89307887
CID 89307887

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
The IUPAC name of 5-bromo-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine (CID 82391294) is 5-bromo-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine.
What is the SMILES notation for 5-bromo-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
The canonical SMILES for 5-bromo-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine is Cc1nc2cc(N)nc(Br)n2n1.
What is the InChIKey of 5-bromo-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
The InChIKey is UAZDJQFRUYYVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN5/c1-3-9-5-2-4(8)10-6(7)12(5)11-3/h2H,8H2,1H3.
What are the key properties of 5-bromo-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
5-bromo-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine has a molecular weight of 228.05 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine is sourced from PubChem (CID 82391294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).