5-bromo-1-(6-ethoxypyrimidin-4-yl)-1,2,4-triazol-3-amine

C8H9BrN6O — CID 103099118

IUPAC5-bromo-1-(6-ethoxypyrimidin-4-yl)-1,2,4-triazol-3-amine
SMILESCCOc1cc(-n2nc(N)nc2Br)ncn1
InChIInChI=1S/C8H9BrN6O/c1-2-16-6-3-5(11-4-12-6)15-7(9)13-8(10)14-15/h3-4H,2H2,1H3,(H2,10,14)
InChIKeySWZBEHUOHYQGSK-UHFFFAOYSA-N
MW285.11 g/mol
LogP0.80
Rot. Bonds3

About 5-bromo-1-(6-ethoxypyrimidin-4-yl)-1,2,4-triazol-3-amine

5-bromo-1-(6-ethoxypyrimidin-4-yl)-1,2,4-triazol-3-amine (PubChem CID 103099118) has the molecular formula C8H9BrN6O and a molecular weight of 285.11 g/mol. Its IUPAC name is 5-bromo-1-(6-ethoxypyrimidin-4-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-(6-ethoxypyrimidin-4-yl)-1,2,4-triazol-3-amine
PubChem CID103099118
Molecular FormulaC8H9BrN6O
Molecular Weight285.11 g/mol
Exact Mass284.00
IUPAC Name5-bromo-1-(6-ethoxypyrimidin-4-yl)-1,2,4-triazol-3-amine
SMILESCCOc1cc(-n2nc(N)nc2Br)ncn1
InChIInChI=1S/C8H9BrN6O/c1-2-16-6-3-5(11-4-12-6)15-7(9)13-8(10)14-15/h3-4H,2H2,1H3,(H2,10,14)
InChIKeySWZBEHUOHYQGSK-UHFFFAOYSA-N
XLogP0.80
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3,5-diphenylpyrazol-1-yl)-6-ethoxypyrimidine
CID 748602
6-ethoxypyrimidin-4-amine;hydrochloride
CID 169439907
4-(3-amino-5-bromo-1,2,4-triazol-1-yl)-1H-pyrimidin-6-one
CID 136827945
5-bromo-1-pyridin-2-yl-1,2,4-triazol-3-amine
CID 103098897
3-[1-(6-ethoxypyrimidin-4-yl)pyrazol-4-yl]aniline
CID 66320358
2-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine
CID 66318119
5-bromo-1-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-amine
CID 103098972
[2-(6-ethoxypyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
CID 66317903
4-ethoxy-6-(2-methylpyrrolidin-1-yl)pyrimidine
CID 133484854
1-(6-methoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine
CID 66320104
5-bromo-1-(5-bromo-3-chloro-2-pyridinyl)-1,2,4-triazol-3-amine
CID 103583004
1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride
CID 66569687

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(6-ethoxypyrimidin-4-yl)-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-1-(6-ethoxypyrimidin-4-yl)-1,2,4-triazol-3-amine (CID 103099118) is 5-bromo-1-(6-ethoxypyrimidin-4-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-1-(6-ethoxypyrimidin-4-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-1-(6-ethoxypyrimidin-4-yl)-1,2,4-triazol-3-amine is CCOc1cc(-n2nc(N)nc2Br)ncn1.
What is the InChIKey of 5-bromo-1-(6-ethoxypyrimidin-4-yl)-1,2,4-triazol-3-amine?
The InChIKey is SWZBEHUOHYQGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN6O/c1-2-16-6-3-5(11-4-12-6)15-7(9)13-8(10)14-15/h3-4H,2H2,1H3,(H2,10,14).
What are the key properties of 5-bromo-1-(6-ethoxypyrimidin-4-yl)-1,2,4-triazol-3-amine?
5-bromo-1-(6-ethoxypyrimidin-4-yl)-1,2,4-triazol-3-amine has a molecular weight of 285.11 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(6-ethoxypyrimidin-4-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 103099118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).