5-bromo-1-(2-methylsulfinylethyl)-1,2,4-triazol-3-amine

C5H9BrN4OS — CID 130789722

IUPAC5-bromo-1-(2-methylsulfinylethyl)-1,2,4-triazol-3-amine
SMILESCS(=O)CCn1nc(N)nc1Br
InChIInChI=1S/C5H9BrN4OS/c1-12(11)3-2-10-4(6)8-5(7)9-10/h2-3H2,1H3,(H2,7,9)
InChIKeyDXTDSYSQNTYJMN-UHFFFAOYSA-N
MW253.12 g/mol
LogP0.00
Rot. Bonds3

About 5-bromo-1-(2-methylsulfinylethyl)-1,2,4-triazol-3-amine

5-bromo-1-(2-methylsulfinylethyl)-1,2,4-triazol-3-amine (PubChem CID 130789722) has the molecular formula C5H9BrN4OS and a molecular weight of 253.12 g/mol. Its IUPAC name is 5-bromo-1-(2-methylsulfinylethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-(2-methylsulfinylethyl)-1,2,4-triazol-3-amine
PubChem CID130789722
Molecular FormulaC5H9BrN4OS
Molecular Weight253.12 g/mol
Exact Mass251.97
IUPAC Name5-bromo-1-(2-methylsulfinylethyl)-1,2,4-triazol-3-amine
SMILESCS(=O)CCn1nc(N)nc1Br
InChIInChI=1S/C5H9BrN4OS/c1-12(11)3-2-10-4(6)8-5(7)9-10/h2-3H2,1H3,(H2,7,9)
InChIKeyDXTDSYSQNTYJMN-UHFFFAOYSA-N
XLogP0.00
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.12
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(3-amino-5-bromo-1,2,4-triazol-1-yl)propanoate
CID 103098621
5-bromo-1-(2-propoxyethyl)-1,2,4-triazol-3-amine
CID 106452735
5-bromo-1-[2-(3-methylbutoxy)ethyl]-1,2,4-triazol-3-amine
CID 103098448
5-bromo-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazol-3-amine
CID 103098625
2-[2-(3-amino-5-bromo-1,2,4-triazol-1-yl)ethoxy]ethanol
CID 103098445
5-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-amine
CID 103098470
5-bromo-1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-amine
CID 103098728
5-bromo-1-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-amine
CID 130639946
3-(3-amino-5-bromo-1,2,4-triazol-1-yl)-2,2-dimethylpropan-1-ol
CID 165473659
5-bromo-1-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 103098687
5-bromo-1-(2-cyclopentyloxyethyl)-1,2,4-triazol-3-amine
CID 165480189
5-bromo-1-[(1-methylcyclobutyl)methyl]-1,2,4-triazol-3-amine
CID 130601068

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-methylsulfinylethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-1-(2-methylsulfinylethyl)-1,2,4-triazol-3-amine (CID 130789722) is 5-bromo-1-(2-methylsulfinylethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-1-(2-methylsulfinylethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-1-(2-methylsulfinylethyl)-1,2,4-triazol-3-amine is CS(=O)CCn1nc(N)nc1Br.
What is the InChIKey of 5-bromo-1-(2-methylsulfinylethyl)-1,2,4-triazol-3-amine?
The InChIKey is DXTDSYSQNTYJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrN4OS/c1-12(11)3-2-10-4(6)8-5(7)9-10/h2-3H2,1H3,(H2,7,9).
What are the key properties of 5-bromo-1-(2-methylsulfinylethyl)-1,2,4-triazol-3-amine?
5-bromo-1-(2-methylsulfinylethyl)-1,2,4-triazol-3-amine has a molecular weight of 253.12 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-methylsulfinylethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 130789722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).