5-bromo-1-[(4-bromothiophen-2-yl)methyl]-1,2,4-triazol-3-amine

C7H6Br2N4S — CID 103098505

IUPAC5-bromo-1-[(4-bromothiophen-2-yl)methyl]-1,2,4-triazol-3-amine
SMILESNc1nc(Br)n(Cc2cc(Br)cs2)n1
InChIInChI=1S/C7H6Br2N4S/c8-4-1-5(14-3-4)2-13-6(9)11-7(10)12-13/h1,3H,2H2,(H2,10,12)
InChIKeyBUOXLGJPWQSNTJ-UHFFFAOYSA-N
MW338.03 g/mol
LogP2.50
Rot. Bonds2

About 5-bromo-1-[(4-bromothiophen-2-yl)methyl]-1,2,4-triazol-3-amine

5-bromo-1-[(4-bromothiophen-2-yl)methyl]-1,2,4-triazol-3-amine (PubChem CID 103098505) has the molecular formula C7H6Br2N4S and a molecular weight of 338.03 g/mol. Its IUPAC name is 5-bromo-1-[(4-bromothiophen-2-yl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-[(4-bromothiophen-2-yl)methyl]-1,2,4-triazol-3-amine
PubChem CID103098505
Molecular FormulaC7H6Br2N4S
Molecular Weight338.03 g/mol
Exact Mass335.87
IUPAC Name5-bromo-1-[(4-bromothiophen-2-yl)methyl]-1,2,4-triazol-3-amine
SMILESNc1nc(Br)n(Cc2cc(Br)cs2)n1
InChIInChI=1S/C7H6Br2N4S/c8-4-1-5(14-3-4)2-13-6(9)11-7(10)12-13/h1,3H,2H2,(H2,10,12)
InChIKeyBUOXLGJPWQSNTJ-UHFFFAOYSA-N
XLogP2.50
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.03
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dibromo-1-[(4-bromothiophen-2-yl)methyl]-1,2,4-triazole
CID 164655668
5-bromo-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine
CID 165472111
5-bromo-1-[(5-bromofuran-3-yl)methyl]-1,2,4-triazol-3-amine
CID 131108985
5-bromo-1-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-amine
CID 103098532
1-[(4-bromothiophen-2-yl)methyl]indazol-3-amine
CID 55104056
1-[(4-bromothiophen-2-yl)methyl]-5-propyltriazol-4-amine
CID 79542088
1-[(4-bromothiophen-2-yl)methyl]triazol-4-amine
CID 79542195
5-bromo-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine
CID 165482172
5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine
CID 103098719
3-[(4-bromothiophen-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-one
CID 114581805
[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methanol
CID 106717530
3-[(4-bromothiophen-2-yl)methyl]-2,6-dimethylpyrimidin-4-one
CID 55236457

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(4-bromothiophen-2-yl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-1-[(4-bromothiophen-2-yl)methyl]-1,2,4-triazol-3-amine (CID 103098505) is 5-bromo-1-[(4-bromothiophen-2-yl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-1-[(4-bromothiophen-2-yl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-1-[(4-bromothiophen-2-yl)methyl]-1,2,4-triazol-3-amine is Nc1nc(Br)n(Cc2cc(Br)cs2)n1.
What is the InChIKey of 5-bromo-1-[(4-bromothiophen-2-yl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is BUOXLGJPWQSNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2N4S/c8-4-1-5(14-3-4)2-13-6(9)11-7(10)12-13/h1,3H,2H2,(H2,10,12).
What are the key properties of 5-bromo-1-[(4-bromothiophen-2-yl)methyl]-1,2,4-triazol-3-amine?
5-bromo-1-[(4-bromothiophen-2-yl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 338.03 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(4-bromothiophen-2-yl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 103098505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).